N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide

C18H21N3O3 — CID 109207018

IUPACN-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(NCC3CCCO3)ccn2)c1
InChIInChI=1S/C18H21N3O3/c1-23-15-5-2-4-14(10-15)21-18(22)17-11-13(7-8-19-17)20-12-16-6-3-9-24-16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyANCGOTCNDLGFGW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.93
Rot. Bonds6

About N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide

N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109207018) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109207018
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(NCC3CCCO3)ccn2)c1
InChIInChI=1S/C18H21N3O3/c1-23-15-5-2-4-14(10-15)21-18(22)17-11-13(7-8-19-17)20-12-16-6-3-9-24-16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyANCGOTCNDLGFGW-UHFFFAOYSA-N
XLogP2.93
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206939
methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
CID 82835955
N-(2,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185219
4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083336
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300819
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
N-(3-methoxyphenyl)-2-(oxan-2-yl)acetamide
CID 110422002
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (CID 109207018) is N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is COc1cccc(NC(=O)c2cc(NCC3CCCO3)ccn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is ANCGOTCNDLGFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-5-2-4-14(10-15)21-18(22)17-11-13(7-8-19-17)20-12-16-6-3-9-24-16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109207018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).