5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide

C13H19ClN4O2 — CID 114923191

IUPAC5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C13H19ClN4O2/c1-4-5-16-12(19)8(2)18-13(20)9-6-11(15-3)17-7-10(9)14/h6-8H,4-5H2,1-3H3,(H,15,17)(H,16,19)(H,18,20)
InChIKeyJZVUUFCWFCMMQP-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.42
Rot. Bonds6

About 5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide

5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide (PubChem CID 114923191) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
PubChem CID114923191
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C13H19ClN4O2/c1-4-5-16-12(19)8(2)18-13(20)9-6-11(15-3)17-7-10(9)14/h6-8H,4-5H2,1-3H3,(H,15,17)(H,16,19)(H,18,20)
InChIKeyJZVUUFCWFCMMQP-UHFFFAOYSA-N
XLogP1.42
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352
2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 55046580
5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733019
5-chloro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923823
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 114922690
5-chloro-N-(1-methoxypentan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923758
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923860
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924522
5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114922662
5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923229
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide (CID 114923191) is 5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide is CCCNC(=O)C(C)NC(=O)c1cc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is JZVUUFCWFCMMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-4-5-16-12(19)8(2)18-13(20)9-6-11(15-3)17-7-10(9)14/h6-8H,4-5H2,1-3H3,(H,15,17)(H,16,19)(H,18,20).
What are the key properties of 5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 114923191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).