2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide

C12H18N4O2 — CID 61064041

IUPAC2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
SMILESCCCNC(=O)CCNc1ncccc1C(N)=O
InChIInChI=1S/C12H18N4O2/c1-2-6-14-10(17)5-8-16-12-9(11(13)18)4-3-7-15-12/h3-4,7H,2,5-6,8H2,1H3,(H2,13,18)(H,14,17)(H,15,16)
InChIKeyBNACQBKBDKHMHA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.51
Rot. Bonds7

About 2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide

2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide (PubChem CID 61064041) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
PubChem CID61064041
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
SMILESCCCNC(=O)CCNc1ncccc1C(N)=O
InChIInChI=1S/C12H18N4O2/c1-2-6-14-10(17)5-8-16-12-9(11(13)18)4-3-7-15-12/h3-4,7H,2,5-6,8H2,1H3,(H2,13,18)(H,14,17)(H,15,16)
InChIKeyBNACQBKBDKHMHA-UHFFFAOYSA-N
XLogP0.51
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 112686364
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
2-(propylamino)pyridine-3-carboxylate
CID 22068597
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129
2-[(2-butanoylbenzoyl)amino]pyridine-3-carboxamide
CID 134870273
2-[(3-carbamothioyl-2-pyridinyl)amino]-N-propylpropanamide
CID 54958501

Frequently Asked Questions

What is the IUPAC name of 2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide (CID 61064041) is 2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide is CCCNC(=O)CCNc1ncccc1C(N)=O.
What is the InChIKey of 2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide?
The InChIKey is BNACQBKBDKHMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-6-14-10(17)5-8-16-12-9(11(13)18)4-3-7-15-12/h3-4,7H,2,5-6,8H2,1H3,(H2,13,18)(H,14,17)(H,15,16).
What are the key properties of 2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide?
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 61064041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).