4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide

C13H20N4O — CID 43599645

IUPAC4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCCCNC2CC2)ccn1
InChIInChI=1S/C13H20N4O/c1-14-13(18)12-9-11(5-8-17-12)16-7-2-6-15-10-3-4-10/h5,8-10,15H,2-4,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyAGCUJDXNGDUHHG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.00
Rot. Bonds7

About 4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide

4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide (PubChem CID 43599645) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide
PubChem CID43599645
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCCCNC2CC2)ccn1
InChIInChI=1S/C13H20N4O/c1-14-13(18)12-9-11(5-8-17-12)16-7-2-6-15-10-3-4-10/h5,8-10,15H,2-4,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyAGCUJDXNGDUHHG-UHFFFAOYSA-N
XLogP1.00
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-cyclopentylpropylamino)-N-methylpyridine-2-carboxamide
CID 106012735
4-(2-cyclohexyloxyethylamino)-N-methylpyridine-2-carboxamide
CID 63828258
N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109201692
N-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carboxamide
CID 61241269
N-methyl-4-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxamide
CID 114516067
4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide
CID 66006288
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007
4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide
CID 106129174
4-(2-ethoxyethylamino)-N-methylpyridine-2-carboxamide
CID 43591225
methyl 4-[2-(cycloheptylamino)ethylamino]pyridine-2-carboxylate
CID 115306769
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide (CID 43599645) is 4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NCCCNC2CC2)ccn1.
What is the InChIKey of 4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is AGCUJDXNGDUHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-13(18)12-9-11(5-8-17-12)16-7-2-6-15-10-3-4-10/h5,8-10,15H,2-4,6-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide?
4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 43599645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).