2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide

C12H18N4O — CID 62977992

IUPAC2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide
SMILESCN(CCNc1ncccc1C(N)=O)C1CC1
InChIInChI=1S/C12H18N4O/c1-16(9-4-5-9)8-7-15-12-10(11(13)17)3-2-6-14-12/h2-3,6,9H,4-5,7-8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyUKXSFUAKLOPZQR-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.69
Rot. Bonds6

About 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide

2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide (PubChem CID 62977992) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide
PubChem CID62977992
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide
SMILESCN(CCNc1ncccc1C(N)=O)C1CC1
InChIInChI=1S/C12H18N4O/c1-16(9-4-5-9)8-7-15-12-10(11(13)17)3-2-6-14-12/h2-3,6,9H,4-5,7-8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyUKXSFUAKLOPZQR-UHFFFAOYSA-N
XLogP0.69
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62978746
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxypyridine-2-carboxamide
CID 55153793
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide (CID 62977992) is 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide is CN(CCNc1ncccc1C(N)=O)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide?
The InChIKey is UKXSFUAKLOPZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16(9-4-5-9)8-7-15-12-10(11(13)17)3-2-6-14-12/h2-3,6,9H,4-5,7-8H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide?
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 62977992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).