2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide

C16H18ClN3O2 — CID 75520512

IUPAC2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide
SMILESCOc1ccnc(CNC(C)(C(N)=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClN3O2/c1-16(15(18)21,11-4-3-5-12(17)8-11)20-10-13-9-14(22-2)6-7-19-13/h3-9,20H,10H2,1-2H3,(H2,18,21)
InChIKeyOBUIAHCQMUHDKE-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.23
Rot. Bonds6

About 2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide

2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide (PubChem CID 75520512) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide
PubChem CID75520512
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide
SMILESCOc1ccnc(CNC(C)(C(N)=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClN3O2/c1-16(15(18)21,11-4-3-5-12(17)8-11)20-10-13-9-14(22-2)6-7-19-13/h3-9,20H,10H2,1-2H3,(H2,18,21)
InChIKeyOBUIAHCQMUHDKE-UHFFFAOYSA-N
XLogP2.23
TPSA77.24 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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-2-(pyridin-2-ylmethylamino)propanamide
CID 75482912
(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide
CID 97238718
2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 71862052
(2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide
CID 97088815
(2S)-2-(but-3-enylamino)-2-(3-chlorophenyl)propanamide
CID 97020992
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanamide
CID 54891175
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide
CID 71862054
2-(2-chloroanilino)-2-(3-methoxyphenyl)propanamide
CID 60996698
methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
CID 66098598
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 110437654
4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide (CID 75520512) is 2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide is COc1ccnc(CNC(C)(C(N)=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide?
The InChIKey is OBUIAHCQMUHDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-16(15(18)21,11-4-3-5-12(17)8-11)20-10-13-9-14(22-2)6-7-19-13/h3-9,20H,10H2,1-2H3,(H2,18,21).
What are the key properties of 2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide?
2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide has a molecular weight of 319.79 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide is sourced from PubChem (CID 75520512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).