2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide

C20H31N3O — CID 169215534

IUPAC2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
SMILESO=C(CC1CCCCC1)NC1CCC(NCc2cccnc2)CC1
InChIInChI=1S/C20H31N3O/c24-20(13-16-5-2-1-3-6-16)23-19-10-8-18(9-11-19)22-15-17-7-4-12-21-14-17/h4,7,12,14,16,18-19,22H,1-3,5-6,8-11,13,15H2,(H,23,24)
InChIKeyMGMXRPQOBNOEPT-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.57
Rot. Bonds6

About 2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide

2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide (PubChem CID 169215534) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
PubChem CID169215534
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
SMILESO=C(CC1CCCCC1)NC1CCC(NCc2cccnc2)CC1
InChIInChI=1S/C20H31N3O/c24-20(13-16-5-2-1-3-6-16)23-19-10-8-18(9-11-19)22-15-17-7-4-12-21-14-17/h4,7,12,14,16,18-19,22H,1-3,5-6,8-11,13,15H2,(H,23,24)
InChIKeyMGMXRPQOBNOEPT-UHFFFAOYSA-N
XLogP3.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
CID 141409752
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
N-[4-(2-hydroxyethyl)cyclohexyl]-2-pyridin-3-ylacetamide
CID 116817232
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
2-cyclopentyl-N-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)cyclohexyl]acetamide;hydrochloride
CID 120731926
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542331
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide (CID 169215534) is 2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide is O=C(CC1CCCCC1)NC1CCC(NCc2cccnc2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide?
The InChIKey is MGMXRPQOBNOEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c24-20(13-16-5-2-1-3-6-16)23-19-10-8-18(9-11-19)22-15-17-7-4-12-21-14-17/h4,7,12,14,16,18-19,22H,1-3,5-6,8-11,13,15H2,(H,23,24).
What are the key properties of 2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide?
2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide has a molecular weight of 329.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide is sourced from PubChem (CID 169215534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).