5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide

C16H18ClN3O — CID 62304573

IUPAC5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide
SMILESCCC(NC(=O)c1cnc(NC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-3-14(11-7-5-4-6-8-11)20-16(21)12-9-13(17)15(18-2)19-10-12/h4-10,14H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMQUNKMQDJWHWBG-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.66
Rot. Bonds5

About 5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide

5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide (PubChem CID 62304573) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide
PubChem CID62304573
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide
SMILESCCC(NC(=O)c1cnc(NC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-3-14(11-7-5-4-6-8-11)20-16(21)12-9-13(17)15(18-2)19-10-12/h4-10,14H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMQUNKMQDJWHWBG-UHFFFAOYSA-N
XLogP3.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 62305236
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62174665
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62176085
(3S)-3-[[5-chloro-6-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonyl]amino]-3-(4-ethylsulfonylphenyl)propanoic acid
CID 166650309
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106347150
N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62170242
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
CID 55046864

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide (CID 62304573) is 5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide is CCC(NC(=O)c1cnc(NC)c(Cl)c1)c1ccccc1.
What is the InChIKey of 5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is MQUNKMQDJWHWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-14(11-7-5-4-6-8-11)20-16(21)12-9-13(17)15(18-2)19-10-12/h4-10,14H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide?
5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-(1-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 62304573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).