6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide

C16H17ClN4O2 — CID 173090749

IUPAC6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1nc(N)ccc1CNC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN4O2/c17-12-3-1-2-10(8-12)4-7-14(22)20-9-11-5-6-13(18)21-15(11)16(19)23/h1-3,5-6,8H,4,7,9H2,(H2,18,21)(H2,19,23)(H,20,22)
InChIKeyUPDLRVGGYATRBS-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.67
Rot. Bonds6

About 6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide

6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide (PubChem CID 173090749) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide
PubChem CID173090749
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1nc(N)ccc1CNC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN4O2/c17-12-3-1-2-10(8-12)4-7-14(22)20-9-11-5-6-13(18)21-15(11)16(19)23/h1-3,5-6,8H,4,7,9H2,(H2,18,21)(H2,19,23)(H,20,22)
InChIKeyUPDLRVGGYATRBS-UHFFFAOYSA-N
XLogP1.67
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-[(3-naphthalen-1-ylpropanoylamino)methyl]pyridine-2-carboxamide
CID 173090979
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
3-(3-amino-1H-indazol-5-yl)-N-[(3-chlorophenyl)methyl]propanamide
CID 58985468
3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
CID 122322284
3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
CID 91624486
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide
CID 9209918
3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 173090462
3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-[(3-chlorophenyl)methyl]propanamide
CID 9402240

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide (CID 173090749) is 6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide is NC(=O)c1nc(N)ccc1CNC(=O)CCc1cccc(Cl)c1.
What is the InChIKey of 6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide?
The InChIKey is UPDLRVGGYATRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-3-1-2-10(8-12)4-7-14(22)20-9-11-5-6-13(18)21-15(11)16(19)23/h1-3,5-6,8H,4,7,9H2,(H2,18,21)(H2,19,23)(H,20,22).
What are the key properties of 6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide?
6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 173090749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).