N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide

C13H13ClN4O2 — CID 39578256

IUPACN-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cc(Cl)c[nH]1)c1cccnc1
InChIInChI=1S/C13H13ClN4O2/c14-10-6-11(18-8-10)13(20)17-5-4-16-12(19)9-2-1-3-15-7-9/h1-3,6-8,18H,4-5H2,(H,16,19)(H,17,20)
InChIKeyIBZLNPFBXFVJGS-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.22
Rot. Bonds5

About N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide

N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 39578256) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID39578256
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cc(Cl)c[nH]1)c1cccnc1
InChIInChI=1S/C13H13ClN4O2/c14-10-6-11(18-8-10)13(20)17-5-4-16-12(19)9-2-1-3-15-7-9/h1-3,6-8,18H,4-5H2,(H,16,19)(H,17,20)
InChIKeyIBZLNPFBXFVJGS-UHFFFAOYSA-N
XLogP1.22
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]pyridine-3-carboxamide
CID 39580126
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide (CID 39578256) is N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)c1cc(Cl)c[nH]1)c1cccnc1.
What is the InChIKey of N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is IBZLNPFBXFVJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-10-6-11(18-8-10)13(20)17-5-4-16-12(19)9-2-1-3-15-7-9/h1-3,6-8,18H,4-5H2,(H,16,19)(H,17,20).
What are the key properties of N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 39578256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).