4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide

C18H20ClN3O3 — CID 9469935

IUPAC4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C18H20ClN3O3/c1-12-4-5-16(25-3)13(8-12)11-22(2)17(23)10-21-18(24)15-9-14(19)6-7-20-15/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyNHPXXDLNYWARPN-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.44
Rot. Bonds6

About 4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 9469935) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID9469935
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)CNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C18H20ClN3O3/c1-12-4-5-16(25-3)13(8-12)11-22(2)17(23)10-21-18(24)15-9-14(19)6-7-20-15/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyNHPXXDLNYWARPN-UHFFFAOYSA-N
XLogP2.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 41437401
4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9269080
4-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
CID 51212432
2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 61258818
4-chloro-N-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9378628
3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 31239710
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 9227980
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107
4-chloro-N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 9366395
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 51073326

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide (CID 9469935) is 4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide is COc1ccc(C)cc1CN(C)C(=O)CNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is NHPXXDLNYWARPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12-4-5-16(25-3)13(8-12)11-22(2)17(23)10-21-18(24)15-9-14(19)6-7-20-15/h4-9H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9469935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).