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

C30H32N4O2 — CID 71188085

IUPACN-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc3ccc(OC4=CCNC(C5=NCCCN5)=C4)cc3c2)c1
InChIInChI=1S/C30H32N4O2/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/h4,6-12,16-19,31H,5,13-15H2,1-3H3,(H,32,33)(H,34,35)
InChIKeyLVXKGDNBDCAULU-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.53
Rot. Bonds5

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

N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide (PubChem CID 71188085) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide
PubChem CID71188085
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc3ccc(OC4=CCNC(C5=NCCCN5)=C4)cc3c2)c1
InChIInChI=1S/C30H32N4O2/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/h4,6-12,16-19,31H,5,13-15H2,1-3H3,(H,32,33)(H,34,35)
InChIKeyLVXKGDNBDCAULU-UHFFFAOYSA-N
XLogP5.53
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide
CID 23585029
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide
CID 58902443
3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82240480
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane
CID 160836273
N-(3-tert-butylphenyl)-4-piperidin-4-yloxybenzamide
CID 149149599
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide?
The IUPAC name of N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide (CID 71188085) is N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide is CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(OC4=CCNC(C5=NCCCN5)=C4)cc3c2)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide?
The InChIKey is LVXKGDNBDCAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/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/h4,6-12,16-19,31H,5,13-15H2,1-3H3,(H,32,33)(H,34,35).
What are the key properties of N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide?
N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 5.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide is sourced from PubChem (CID 71188085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).