2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide

C13H17ClN4O3 — CID 103803837

IUPAC2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide
SMILESCCN(CCNC(=O)c1cc([N+](=O)[O-])cnc1Cl)C1CC1
InChIInChI=1S/C13H17ClN4O3/c1-2-17(9-3-4-9)6-5-15-13(19)11-7-10(18(20)21)8-16-12(11)14/h7-9H,2-6H2,1H3,(H,15,19)
InChIKeyNZMQBNCYJJKFEG-UHFFFAOYSA-N
MW312.76 g/mol
LogP1.86
Rot. Bonds7

About 2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide

2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide (PubChem CID 103803837) has the molecular formula C13H17ClN4O3 and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide
PubChem CID103803837
Molecular FormulaC13H17ClN4O3
Molecular Weight312.76 g/mol
Exact Mass312.10
IUPAC Name2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide
SMILESCCN(CCNC(=O)c1cc([N+](=O)[O-])cnc1Cl)C1CC1
InChIInChI=1S/C13H17ClN4O3/c1-2-17(9-3-4-9)6-5-15-13(19)11-7-10(18(20)21)8-16-12(11)14/h7-9H,2-6H2,1H3,(H,15,19)
InChIKeyNZMQBNCYJJKFEG-UHFFFAOYSA-N
XLogP1.86
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(methylamino)propyl]-5-nitropyridine-3-carboxamide
CID 114046917
2-chloro-N-(3-methylsulfonylpropyl)-5-nitropyridine-3-carboxamide
CID 103803706
2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-nitropyridine-3-carboxamide
CID 103803926
2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
CID 103803521
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 104589382
2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide
CID 103803498
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-nitropyridine-3-carboxamide
CID 103803639
N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide
CID 103803326
4-amino-2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzamide;dihydrochloride
CID 119874360
2-chloro-N-(1,1-dioxothiolan-3-yl)-5-nitropyridine-3-carboxamide
CID 103803501
2-chloro-N-(2-cyanopropyl)-5-nitropyridine-3-carboxamide
CID 103803947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide (CID 103803837) is 2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide is CCN(CCNC(=O)c1cc([N+](=O)[O-])cnc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide?
The InChIKey is NZMQBNCYJJKFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O3/c1-2-17(9-3-4-9)6-5-15-13(19)11-7-10(18(20)21)8-16-12(11)14/h7-9H,2-6H2,1H3,(H,15,19).
What are the key properties of 2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide?
2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 103803837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).