N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide

C15H24N4O — CID 82331650

IUPACN-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide
SMILESNc1ccc(NCCCNC(=O)C2CCCCC2)cn1
InChIInChI=1S/C15H24N4O/c16-14-8-7-13(11-19-14)17-9-4-10-18-15(20)12-5-2-1-3-6-12/h7-8,11-12,17H,1-6,9-10H2,(H2,16,19)(H,18,20)
InChIKeyPXUUKTMEOPQLMJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds6

About N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide

N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide (PubChem CID 82331650) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide
PubChem CID82331650
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide
SMILESNc1ccc(NCCCNC(=O)C2CCCCC2)cn1
InChIInChI=1S/C15H24N4O/c16-14-8-7-13(11-19-14)17-9-4-10-18-15(20)12-5-2-1-3-6-12/h7-8,11-12,17H,1-6,9-10H2,(H2,16,19)(H,18,20)
InChIKeyPXUUKTMEOPQLMJ-UHFFFAOYSA-N
XLogP2.16
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
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

N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclopropanecarboxamide
CID 82331648
5-N-(2-cyclohexylethyl)pyridine-2,5-diamine
CID 60919964
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
N-[3-[(5-amino-2-pyridinyl)amino]propyl]cyclopropanecarboxamide
CID 82331101
4-[(6-amino-3-pyridinyl)amino]butanoic acid
CID 117044632
N-[3-[(6-amino-3-pyridinyl)amino]propyl]-3,4-dimethylbenzamide
CID 82331662
N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
CID 113024024
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 81478295
N-(6-amino-3-pyridinyl)oxane-4-carboxamide;hydrochloride
CID 119514919
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide (CID 82331650) is N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide is Nc1ccc(NCCCNC(=O)C2CCCCC2)cn1.
What is the InChIKey of N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide?
The InChIKey is PXUUKTMEOPQLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-14-8-7-13(11-19-14)17-9-4-10-18-15(20)12-5-2-1-3-6-12/h7-8,11-12,17H,1-6,9-10H2,(H2,16,19)(H,18,20).
What are the key properties of N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide?
N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-amino-3-pyridinyl)amino]propyl]cyclohexanecarboxamide is sourced from PubChem (CID 82331650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).