2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate

C33H36N4O4 — CID 66721690

IUPAC2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)OCCN5CCCC5)c4)cc3c2)c1
InChIInChI=1S/C33H36N4O4/c1-33(2,3)26-7-6-8-27(21-26)35-31(38)24-10-9-23-11-12-28(20-25(23)19-24)41-29-13-14-34-30(22-29)36-32(39)40-18-17-37-15-4-5-16-37/h6-14,19-22H,4-5,15-18H2,1-3H3,(H,35,38)(H,34,36,39)
InChIKeyFTVBFLNXKMNSFN-UHFFFAOYSA-N
MW552.68 g/mol
LogP7.22
Rot. Bonds8

About 2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate

2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate (PubChem CID 66721690) has the molecular formula C33H36N4O4 and a molecular weight of 552.68 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
PubChem CID66721690
Molecular FormulaC33H36N4O4
Molecular Weight552.68 g/mol
Exact Mass552.27
IUPAC Name2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)OCCN5CCCC5)c4)cc3c2)c1
InChIInChI=1S/C33H36N4O4/c1-33(2,3)26-7-6-8-27(21-26)35-31(38)24-10-9-23-11-12-28(20-25(23)19-24)41-29-13-14-34-30(22-29)36-32(39)40-18-17-37-15-4-5-16-37/h6-14,19-22H,4-5,15-18H2,1-3H3,(H,35,38)(H,34,36,39)
InChIKeyFTVBFLNXKMNSFN-UHFFFAOYSA-N
XLogP7.22
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid
CID 69438047
N-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide
CID 59790061
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide
CID 58902443
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
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane
CID 160836273
N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine
CID 145351744
7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide
CID 69441789
N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide
CID 71188085
N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 58902466

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate?
The IUPAC name of 2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate (CID 66721690) is 2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate is CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)OCCN5CCCC5)c4)cc3c2)c1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate?
The InChIKey is FTVBFLNXKMNSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O4/c1-33(2,3)26-7-6-8-27(21-26)35-31(38)24-10-9-23-11-12-28(20-25(23)19-24)41-29-13-14-34-30(22-29)36-32(39)40-18-17-37-15-4-5-16-37/h6-14,19-22H,4-5,15-18H2,1-3H3,(H,35,38)(H,34,36,39).
What are the key properties of 2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate?
2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate has a molecular weight of 552.68 g/mol, XLogP of 7.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate is sourced from PubChem (CID 66721690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).