N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide

C11H15ClN4O2 — CID 62179327

IUPACN-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCC(N)=O)cc(Cl)n1
InChIInChI=1S/C11H15ClN4O2/c1-14-10-6-7(5-8(12)16-10)11(18)15-4-2-3-9(13)17/h5-6H,2-4H2,1H3,(H2,13,17)(H,14,16)(H,15,18)
InChIKeySQASVJQWAYDQBA-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.77
Rot. Bonds6

About N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide

N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide (PubChem CID 62179327) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
PubChem CID62179327
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC NameN-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCC(N)=O)cc(Cl)n1
InChIInChI=1S/C11H15ClN4O2/c1-14-10-6-7(5-8(12)16-10)11(18)15-4-2-3-9(13)17/h5-6H,2-4H2,1H3,(H2,13,17)(H,14,16)(H,15,18)
InChIKeySQASVJQWAYDQBA-UHFFFAOYSA-N
XLogP0.77
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-oxobutyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62237080
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106235383
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62177585
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 62178675
2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide
CID 62173721
2-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 63834851
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62167624
2-chloro-6-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62171208

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide (CID 62179327) is N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCCC(N)=O)cc(Cl)n1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is SQASVJQWAYDQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-14-10-6-7(5-8(12)16-10)11(18)15-4-2-3-9(13)17/h5-6H,2-4H2,1H3,(H2,13,17)(H,14,16)(H,15,18).
What are the key properties of N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62179327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).