5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide

C13H16ClN5O — CID 114924673

IUPAC5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCc2ncc[nH]2)c(Cl)cn1
InChIInChI=1S/C13H16ClN5O/c1-15-12-7-9(10(14)8-19-12)13(20)18-4-2-3-11-16-5-6-17-11/h5-8H,2-4H2,1H3,(H,15,19)(H,16,17)(H,18,20)
InChIKeyNIXOPWFBIMQZGP-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.86
Rot. Bonds6

About 5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114924673) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID114924673
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCCc2ncc[nH]2)c(Cl)cn1
InChIInChI=1S/C13H16ClN5O/c1-15-12-7-9(10(14)8-19-12)13(20)18-4-2-3-11-16-5-6-17-11/h5-8H,2-4H2,1H3,(H,15,19)(H,16,17)(H,18,20)
InChIKeyNIXOPWFBIMQZGP-UHFFFAOYSA-N
XLogP1.86
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114923790
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107185960
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924429
5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106422895
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242
5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923493
3,5-dibromo-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107973143
2-bromo-N-[3-(1H-imidazol-2-yl)propyl]pyridine-3-carboxamide
CID 114036178
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide (CID 114924673) is 5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCCc2ncc[nH]2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is NIXOPWFBIMQZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-15-12-7-9(10(14)8-19-12)13(20)18-4-2-3-11-16-5-6-17-11/h5-8H,2-4H2,1H3,(H,15,19)(H,16,17)(H,18,20).
What are the key properties of 5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 293.76 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114924673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).