N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide

C15H22N2O2 — CID 141444032

IUPACN-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](CO)C1CCCCCC1)c1cccnc1
InChIInChI=1S/C15H22N2O2/c18-11-14(12-6-3-1-2-4-7-12)17-15(19)13-8-5-9-16-10-13/h5,8-10,12,14,18H,1-4,6-7,11H2,(H,17,19)/t14-/m1/s1
InChIKeyBASIVZGPHMNSDG-CQSZACIVSA-N
MW262.35 g/mol
LogP2.14
Rot. Bonds4

About N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide

N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide (PubChem CID 141444032) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide
PubChem CID141444032
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](CO)C1CCCCCC1)c1cccnc1
InChIInChI=1S/C15H22N2O2/c18-11-14(12-6-3-1-2-4-7-12)17-15(19)13-8-5-9-16-10-13/h5,8-10,12,14,18H,1-4,6-7,11H2,(H,17,19)/t14-/m1/s1
InChIKeyBASIVZGPHMNSDG-CQSZACIVSA-N
XLogP2.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
CID 61123796
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-[2-(cyclopentylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705401
N-(2-cyclohexyl-1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 91660588
N-(2-amino-1-cyclohexylethyl)-5-phenylpyridine-3-carboxamide
CID 119590618
N-[1-(cyclohexylmethylamino)-2-hydroxy-1-oxopentan-3-yl]pyridine-3-carboxamide
CID 134349860
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide
CID 53378704
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide (CID 141444032) is N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide is O=C(N[C@H](CO)C1CCCCCC1)c1cccnc1.
What is the InChIKey of N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide?
The InChIKey is BASIVZGPHMNSDG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-11-14(12-6-3-1-2-4-7-12)17-15(19)13-8-5-9-16-10-13/h5,8-10,12,14,18H,1-4,6-7,11H2,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide?
N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide is sourced from PubChem (CID 141444032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).