4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide

C16H26N4O — CID 60980958

IUPAC4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide
SMILESCN(CCCNc1ccnc(C(N)=O)c1)C1CCCCC1
InChIInChI=1S/C16H26N4O/c1-20(14-6-3-2-4-7-14)11-5-9-18-13-8-10-19-15(12-13)16(17)21/h8,10,12,14H,2-7,9,11H2,1H3,(H2,17,21)(H,18,19)
InChIKeyCEVOEICSVWSPFS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.25
Rot. Bonds7

About 4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide

4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide (PubChem CID 60980958) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide
PubChem CID60980958
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide
SMILESCN(CCCNc1ccnc(C(N)=O)c1)C1CCCCC1
InChIInChI=1S/C16H26N4O/c1-20(14-6-3-2-4-7-14)11-5-9-18-13-8-10-19-15(12-13)16(17)21/h8,10,12,14H,2-7,9,11H2,1H3,(H2,17,21)(H,18,19)
InChIKeyCEVOEICSVWSPFS-UHFFFAOYSA-N
XLogP2.25
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
4-(6-hydroxyhexylamino)pyridine-2-carboxamide
CID 104880508
4-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxamide
CID 62640887
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62978567
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
N-cycloheptyl-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236519
4-[3-aminopropyl(cyclohexyl)amino]pyridine-2-carboxamide
CID 43517535
4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyridazin-6-one
CID 114392005
4-(3-cyclopentylpropylamino)-N-methylpyridine-2-carboxamide
CID 106012735

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide (CID 60980958) is 4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide is CN(CCCNc1ccnc(C(N)=O)c1)C1CCCCC1.
What is the InChIKey of 4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide?
The InChIKey is CEVOEICSVWSPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-20(14-6-3-2-4-7-14)11-5-9-18-13-8-10-19-15(12-13)16(17)21/h8,10,12,14H,2-7,9,11H2,1H3,(H2,17,21)(H,18,19).
What are the key properties of 4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide?
4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide is sourced from PubChem (CID 60980958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).