4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide

C17H25N3O — CID 79510873

IUPAC4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)N(Cc2ccncc2)C2CC2)CC1
InChIInChI=1S/C17H25N3O/c18-11-13-1-3-15(4-2-13)17(21)20(16-5-6-16)12-14-7-9-19-10-8-14/h7-10,13,15-16H,1-6,11-12,18H2
InChIKeyNPEAEIMDNWZABY-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.34
Rot. Bonds5

About 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 79510873) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID79510873
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)N(Cc2ccncc2)C2CC2)CC1
InChIInChI=1S/C17H25N3O/c18-11-13-1-3-15(4-2-13)17(21)20(16-5-6-16)12-14-7-9-19-10-8-14/h7-10,13,15-16H,1-6,11-12,18H2
InChIKeyNPEAEIMDNWZABY-UHFFFAOYSA-N
XLogP2.34
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79211040
N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 106739301
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869783
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 55980735
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
1-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 81172415
N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
CID 64562460
2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide
CID 167754693
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
CID 61113725

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide (CID 79510873) is 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)N(Cc2ccncc2)C2CC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is NPEAEIMDNWZABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-11-13-1-3-15(4-2-13)17(21)20(16-5-6-16)12-14-7-9-19-10-8-14/h7-10,13,15-16H,1-6,11-12,18H2.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79510873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).