2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide

C16H19N3O2 — CID 97221238

IUPAC2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide
SMILESCOc1ccc([C@H](C)N(C)c2cc(C(N)=O)ccn2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(12-4-6-14(21-3)7-5-12)19(2)15-10-13(16(17)20)8-9-18-15/h4-11H,1-3H3,(H2,17,20)/t11-/m0/s1
InChIKeyYNKAFDRQEHFNCA-NSHDSACASA-N
MW285.35 g/mol
LogP2.39
Rot. Bonds5

About 2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide

2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide (PubChem CID 97221238) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide
PubChem CID97221238
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide
SMILESCOc1ccc([C@H](C)N(C)c2cc(C(N)=O)ccn2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(12-4-6-14(21-3)7-5-12)19(2)15-10-13(16(17)20)8-9-18-15/h4-11H,1-3H3,(H2,17,20)/t11-/m0/s1
InChIKeyYNKAFDRQEHFNCA-NSHDSACASA-N
XLogP2.39
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-ylpyridine-4-carboxamide
CID 53424773
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 75493520
4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine
CID 56575410
6-[1-(4-methoxyphenyl)ethyl-methylamino]pyridine-2-carbonitrile
CID 133350822
2-[methyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxamide
CID 75374046
2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid
CID 62980554
2-[chloro-[(4-methoxyphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 87576937
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-methyl-6-propan-2-ylpyrimidine-4-carboxamide
CID 95217140
1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 71937920
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate
CID 133350668

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide?
The IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide (CID 97221238) is 2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide?
The canonical SMILES for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide is COc1ccc([C@H](C)N(C)c2cc(C(N)=O)ccn2)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide?
The InChIKey is YNKAFDRQEHFNCA-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(12-4-6-14(21-3)7-5-12)19(2)15-10-13(16(17)20)8-9-18-15/h4-11H,1-3H3,(H2,17,20)/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide?
2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]-methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 97221238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).