N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide

C16H19N3O2 — CID 105068839

IUPACN-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-17-15-11-18-8-7-14(15)16(21)19(9-10-20)12-13-5-3-2-4-6-13/h2-8,11,17,20H,9-10,12H2,1H3
InChIKeyBZLAXBQADUBIAK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.76
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide

N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105068839) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
PubChem CID105068839
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-17-15-11-18-8-7-14(15)16(21)19(9-10-20)12-13-5-3-2-4-6-13/h2-8,11,17,20H,9-10,12H2,1H3
InChIKeyBZLAXBQADUBIAK-UHFFFAOYSA-N
XLogP1.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 107486032
N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide
CID 81242925
3-[[2-[2-[benzyl(2-hydroxyethyl)carbamoyl]phenyl]benzoyl]-(2-pyridin-3-ylethyl)amino]propanoic acid
CID 69432761
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
N-benzyl-N-(2-hydroxyethyl)-2-(methylamino)acetamide
CID 58786294
N-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 105069435
N-ethyl-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105068933
N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
CID 66474102
N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105068956
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105070225

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide (CID 105068839) is N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide is CNc1cnccc1C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is BZLAXBQADUBIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-15-11-18-8-7-14(15)16(21)19(9-10-20)12-13-5-3-2-4-6-13/h2-8,11,17,20H,9-10,12H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105068839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).