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

C13H20N4O2 — CID 55046580

IUPAC2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccnc(NC)c1
InChIInChI=1S/C13H20N4O2/c1-4-6-16-12(18)9(2)17-13(19)10-5-7-15-11(8-10)14-3/h5,7-9H,4,6H2,1-3H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyLEPKRXWWPOQWAC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.77
Rot. Bonds6

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

2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide (PubChem CID 55046580) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
PubChem CID55046580
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccnc(NC)c1
InChIInChI=1S/C13H20N4O2/c1-4-6-16-12(18)9(2)17-13(19)10-5-7-15-11(8-10)14-3/h5,7-9H,4,6H2,1-3H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyLEPKRXWWPOQWAC-UHFFFAOYSA-N
XLogP0.77
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylmethoxypyridine-4-carboxamide
CID 51091437
5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 114923191
2-(methylamino)-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62694012
3-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992878
3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385
2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175030
2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 64643269
N-[1-oxo-1-(propylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 62178002
3-fluoro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992916
3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41089115
3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992872
2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 63011141

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide (CID 55046580) is 2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide is CCCNC(=O)C(C)NC(=O)c1ccnc(NC)c1.
What is the InChIKey of 2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
The InChIKey is LEPKRXWWPOQWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-6-16-12(18)9(2)17-13(19)10-5-7-15-11(8-10)14-3/h5,7-9H,4,6H2,1-3H3,(H,14,15)(H,16,18)(H,17,19).
What are the key properties of 2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide?
2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 55046580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).