N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide

C29H25N5O2 — CID 53252033

IUPACN-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide
SMILESCNc1ccc(-c2nc3ccnc(C(=O)NCC(O)c4cccnc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C29H25N5O2/c1-30-22-11-9-20(10-12-22)27-23(19-6-3-2-4-7-19)16-24-25(34-27)13-15-32-28(24)29(36)33-18-26(35)21-8-5-14-31-17-21/h2-17,26,30,35H,18H2,1H3,(H,33,36)
InChIKeyWTUACAOJDTZSII-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.86
Rot. Bonds7

About N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide

N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide (PubChem CID 53252033) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide
PubChem CID53252033
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC NameN-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide
SMILESCNc1ccc(-c2nc3ccnc(C(=O)NCC(O)c4cccnc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C29H25N5O2/c1-30-22-11-9-20(10-12-22)27-23(19-6-3-2-4-7-19)16-24-25(34-27)13-15-32-28(24)29(36)33-18-26(35)21-8-5-14-31-17-21/h2-17,26,30,35H,18H2,1H3,(H,33,36)
InChIKeyWTUACAOJDTZSII-UHFFFAOYSA-N
XLogP4.86
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-[(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)carbamoyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium;bis(2,2,2-trifluoroacetate)
CID 88959446
2-[4-(aminomethyl)phenyl]-N-(2-anilinoethyl)-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251722
[4-[3-phenyl-5-(pyridin-2-ylmethylcarbamoyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 140597105
N-(2-acetamidoethyl)-2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 171927235
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
[4-[5-(2-acetamidoethylcarbamoyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium;2,2,2-trifluoroacetate
CID 88959334
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
2-[4-(aminomethyl)phenyl]-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 67247399
3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide
CID 50965140
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
tert-butyl-[[4-[5-(N'-hydroxycarbamimidoyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamic acid
CID 173038168
2-[4-(aminomethyl)phenyl]-3-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,6-naphthyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 171927240

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide (CID 53252033) is N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide is CNc1ccc(-c2nc3ccnc(C(=O)NCC(O)c4cccnc4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide?
The InChIKey is WTUACAOJDTZSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2/c1-30-22-11-9-20(10-12-22)27-23(19-6-3-2-4-7-19)16-24-25(34-27)13-15-32-28(24)29(36)33-18-26(35)21-8-5-14-31-17-21/h2-17,26,30,35H,18H2,1H3,(H,33,36).
What are the key properties of N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide?
N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[4-(methylamino)phenyl]-3-phenyl-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 53252033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).