4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide

C13H18ClN3O3 — CID 60707787

IUPAC4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H18ClN3O3/c1-17(9-12(18)16-5-3-7-20-2)13(19)11-8-10(14)4-6-15-11/h4,6,8H,3,5,7,9H2,1-2H3,(H,16,18)
InChIKeyWJBKVXUNMCJOQK-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.96
Rot. Bonds7

About 4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide

4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide (PubChem CID 60707787) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
PubChem CID60707787
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H18ClN3O3/c1-17(9-12(18)16-5-3-7-20-2)13(19)11-8-10(14)4-6-15-11/h4,6,8H,3,5,7,9H2,1-2H3,(H,16,18)
InChIKeyWJBKVXUNMCJOQK-UHFFFAOYSA-N
XLogP0.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 105380806
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 104741760
2-[(4-chloro-2-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 79255516
3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 103841802
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897
4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 60776063
4-chloro-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9463211
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
4-chloro-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328813
(E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 51307815
2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307804

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide (CID 60707787) is 4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide is COCCCNC(=O)CN(C)C(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is WJBKVXUNMCJOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-17(9-12(18)16-5-3-7-20-2)13(19)11-8-10(14)4-6-15-11/h4,6,8H,3,5,7,9H2,1-2H3,(H,16,18).
What are the key properties of 4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide?
4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 60707787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).