N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide

C57H53N7O4 — CID 161171805

IUPACN-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(C#N)c4)cc3c2)c1.CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(C5=NCCCN5)c4)cc3c2)c1
InChIInChI=1S/C30H30N4O2.C27H23N3O2/c1-30(2,3)23-6-4-7-24(18-23)34-29(35)21-9-8-20-10-11-25(17-22(20)16-21)36-26-12-15-31-27(19-26)28-32-13-5-14-33-28;1-27(2,3)21-5-4-6-22(15-21)30-26(31)19-8-7-18-9-10-24(14-20(18)13-19)32-25-11-12-29-23(16-25)17-28/h4,6-12,15-19H,5,13-14H2,1-3H3,(H,32,33)(H,34,35);4-16H,1-3H3,(H,30,31)
InChIKeyURGXWKFDRHUOJF-UHFFFAOYSA-N
MW900.10 g/mol
LogP12.77
Rot. Bonds9

About N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide

N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide (PubChem CID 161171805) has the molecular formula C57H53N7O4 and a molecular weight of 900.10 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
PubChem CID161171805
Molecular FormulaC57H53N7O4
Molecular Weight900.10 g/mol
Exact Mass899.42
IUPAC NameN-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(C#N)c4)cc3c2)c1.CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(C5=NCCCN5)c4)cc3c2)c1
InChIInChI=1S/C30H30N4O2.C27H23N3O2/c1-30(2,3)23-6-4-7-24(18-23)34-29(35)21-9-8-20-10-11-25(17-22(20)16-21)36-26-12-15-31-27(19-26)28-32-13-5-14-33-28;1-27(2,3)21-5-4-6-22(15-21)30-26(31)19-8-7-18-9-10-24(14-20(18)13-19)32-25-11-12-29-23(16-25)17-28/h4,6-12,15-19H,5,13-14H2,1-3H3,(H,32,33)(H,34,35);4-16H,1-3H3,(H,30,31)
InChIKeyURGXWKFDRHUOJF-UHFFFAOYSA-N
XLogP12.77
TPSA150.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.10
LogP ≤ 512.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide
CID 71188085
2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid
CID 69438047
2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 66721690
7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide
CID 69441789
6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide
CID 23585029
2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 69440674
N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 66721579
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide
CID 58902443
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane
CID 160836273
3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82240480
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]quinoline-3-carboxamide
CID 66721302
N-(4-tert-butylphenyl)-3-[3-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 68684867

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The IUPAC name of N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide (CID 161171805) is N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide is CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(C#N)c4)cc3c2)c1.CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(C5=NCCCN5)c4)cc3c2)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The InChIKey is URGXWKFDRHUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2.C27H23N3O2/c1-30(2,3)23-6-4-7-24(18-23)34-29(35)21-9-8-20-10-11-25(17-22(20)16-21)36-26-12-15-31-27(19-26)28-32-13-5-14-33-28;1-27(2,3)21-5-4-6-22(15-21)30-26(31)19-8-7-18-9-10-24(14-20(18)13-19)32-25-11-12-29-23(16-25)17-28/h4,6-12,15-19H,5,13-14H2,1-3H3,(H,32,33)(H,34,35);4-16H,1-3H3,(H,30,31).
What are the key properties of N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide has a molecular weight of 900.10 g/mol, XLogP of 12.77, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide is sourced from PubChem (CID 161171805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).