2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide

C13H19ClN4O2 — CID 114924418

IUPAC2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCC(C)CNC(=O)C(C)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H19ClN4O2/c1-7(2)5-17-12(19)8(3)18-13(20)9-4-11(15)16-6-10(9)14/h4,6-8H,5H2,1-3H3,(H2,15,16)(H,17,19)(H,18,20)
InChIKeyJRMGXPBSZZGAHY-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.21
Rot. Bonds5

About 2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide

2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide (PubChem CID 114924418) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
PubChem CID114924418
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
SMILESCC(C)CNC(=O)C(C)NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H19ClN4O2/c1-7(2)5-17-12(19)8(3)18-13(20)9-4-11(15)16-6-10(9)14/h4,6-8H,5H2,1-3H3,(H2,15,16)(H,17,19)(H,18,20)
InChIKeyJRMGXPBSZZGAHY-UHFFFAOYSA-N
XLogP1.21
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide
CID 107185802
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923822
2-amino-5-chloro-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 114924604
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114922239
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
2-amino-5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114924724
5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 114923191
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
6-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 113406887

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide (CID 114924418) is 2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide is CC(C)CNC(=O)C(C)NC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
The InChIKey is JRMGXPBSZZGAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-7(2)5-17-12(19)8(3)18-13(20)9-4-11(15)16-6-10(9)14/h4,6-8H,5H2,1-3H3,(H2,15,16)(H,17,19)(H,18,20).
What are the key properties of 2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide?
2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 114924418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).