5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide

C13H20N4O — CID 61359178

IUPAC5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCC1CCCCC1
InChIInChI=1S/C13H20N4O/c14-10-6-11(12(15)18)13(17-8-10)16-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7,14H2,(H2,15,18)(H,16,17)
InChIKeyRTFDCQOLOPRCTP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.75
Rot. Bonds4

About 5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide

5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide (PubChem CID 61359178) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
PubChem CID61359178
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCC1CCCCC1
InChIInChI=1S/C13H20N4O/c14-10-6-11(12(15)18)13(17-8-10)16-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7,14H2,(H2,15,18)(H,16,17)
InChIKeyRTFDCQOLOPRCTP-UHFFFAOYSA-N
XLogP1.75
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-(cyclopentylmethoxy)pyridine-3-carboxamide
CID 66322147
5-amino-2-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 62359222
5-amino-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 79385386
5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114047478
5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
CID 106166474
5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
CID 114045919
1-(cyclohexylmethylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582128
5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 61359752
5-amino-2-(thiolan-3-ylamino)pyridine-3-carboxamide
CID 103062322
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 61358389
5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide
CID 106309000

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide (CID 61359178) is 5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1NCC1CCCCC1.
What is the InChIKey of 5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide?
The InChIKey is RTFDCQOLOPRCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-10-6-11(12(15)18)13(17-8-10)16-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7,14H2,(H2,15,18)(H,16,17).
What are the key properties of 5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide?
5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 61359178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).