N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide

C16H18ClN3O2 — CID 110910720

IUPACN-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(CCO)Cc2ccccc2)cc(Cl)n1
InChIInChI=1S/C16H18ClN3O2/c1-18-15-10-13(9-14(17)19-15)16(22)20(7-8-21)11-12-5-3-2-4-6-12/h2-6,9-10,21H,7-8,11H2,1H3,(H,18,19)
InChIKeyVNXUBGGAVQFDSO-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.41
Rot. Bonds6

About N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide

N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 110910720) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID110910720
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(CCO)Cc2ccccc2)cc(Cl)n1
InChIInChI=1S/C16H18ClN3O2/c1-18-15-10-13(9-14(17)19-15)16(22)20(7-8-21)11-12-5-3-2-4-6-12/h2-6,9-10,21H,7-8,11H2,1H3,(H,18,19)
InChIKeyVNXUBGGAVQFDSO-UHFFFAOYSA-N
XLogP2.41
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
CID 62177130
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 62169933
2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 56805111
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide
CID 113379794
N-benzyl-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
4-(acetamidomethyl)-N-benzyl-N-(2-hydroxyethyl)benzamide
CID 110880403
N-benzyl-6-chloro-N-(2-hydroxyethyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 71897841
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 62175854
2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide
CID 62172641

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide (CID 110910720) is N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N(CCO)Cc2ccccc2)cc(Cl)n1.
What is the InChIKey of N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is VNXUBGGAVQFDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-18-15-10-13(9-14(17)19-15)16(22)20(7-8-21)11-12-5-3-2-4-6-12/h2-6,9-10,21H,7-8,11H2,1H3,(H,18,19).
What are the key properties of N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide?
N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 110910720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).