4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide

C13H20N4O2 — CID 62178459

IUPAC4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1cc(NC)ccn1
InChIInChI=1S/C13H20N4O2/c1-3-6-16-12(18)5-8-17-13(19)11-9-10(14-2)4-7-15-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyATXVSUVPYJKXKP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.77
Rot. Bonds7

About 4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide

4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide (PubChem CID 62178459) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
PubChem CID62178459
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
SMILESCCCNC(=O)CCNC(=O)c1cc(NC)ccn1
InChIInChI=1S/C13H20N4O2/c1-3-6-16-12(18)5-8-17-13(19)11-9-10(14-2)4-7-15-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyATXVSUVPYJKXKP-UHFFFAOYSA-N
XLogP0.77
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62177424
4-(ethylamino)-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 55046976
N-[2-(dimethylsulfamoyl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 106342692
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761
4-(2-ethylanilino)-N-propylpyridine-2-carboxamide
CID 109201085
4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62986653
4-(benzenesulfonamido)-N-propylpyridine-2-carboxamide
CID 118572876
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62176334
N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109201155
4-(2,4-dichloroanilino)-N-propylpyridine-2-carboxamide
CID 109201162
N-methyl-4-(methylamino)-N-propylpyridine-2-carboxamide
CID 62170346

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide (CID 62178459) is 4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide is CCCNC(=O)CCNC(=O)c1cc(NC)ccn1.
What is the InChIKey of 4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide?
The InChIKey is ATXVSUVPYJKXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-6-16-12(18)5-8-17-13(19)11-9-10(14-2)4-7-15-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15)(H,16,18)(H,17,19).
What are the key properties of 4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide?
4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 62178459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).