N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide

C18H27N3O — CID 122570407

IUPACN-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(C2CCNCC2)ccn1
InChIInChI=1S/C18H27N3O/c22-18(21-16-5-3-1-2-4-6-16)17-13-15(9-12-20-17)14-7-10-19-11-8-14/h9,12-14,16,19H,1-8,10-11H2,(H,21,22)
InChIKeyGPWPGULSAYARQF-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.00
Rot. Bonds3

About N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide

N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide (PubChem CID 122570407) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide
PubChem CID122570407
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(C2CCNCC2)ccn1
InChIInChI=1S/C18H27N3O/c22-18(21-16-5-3-1-2-4-6-16)17-13-15(9-12-20-17)14-7-10-19-11-8-14/h9,12-14,16,19H,1-8,10-11H2,(H,21,22)
InChIKeyGPWPGULSAYARQF-UHFFFAOYSA-N
XLogP3.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361893
N-cycloheptyl-4-hydrazinylpyridine-2-carboxamide
CID 62241897
N-cyclohexyl-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436170
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
tert-butyl 3-[(4-cyclopropylpyridine-2-carbonyl)amino]azetidine-1-carboxylate
CID 118946329
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
(4-methylpiperazin-1-yl)-(4-piperidin-4-yl-2-pyridinyl)methanone;dihydrochloride
CID 154910494
N-cyclopentyl-4-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001185
N-cyclohexyl-2-piperidin-4-ylbenzamide;hydrochloride
CID 170456891
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527
N-cyclohexyl-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204760

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide (CID 122570407) is N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide is O=C(NC1CCCCCC1)c1cc(C2CCNCC2)ccn1.
What is the InChIKey of N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide?
The InChIKey is GPWPGULSAYARQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(21-16-5-3-1-2-4-6-16)17-13-15(9-12-20-17)14-7-10-19-11-8-14/h9,12-14,16,19H,1-8,10-11H2,(H,21,22).
What are the key properties of N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide?
N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-piperidin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 122570407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).