2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

C21H26N2O2 — CID 140776979

IUPAC2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCCc1cc(CO[C@H]2CCC[C@H]2c2ncccc2C(N)=O)ccc1C
InChIInChI=1S/C21H26N2O2/c1-3-16-12-15(10-9-14(16)2)13-25-19-8-4-6-17(19)20-18(21(22)24)7-5-11-23-20/h5,7,9-12,17,19H,3-4,6,8,13H2,1-2H3,(H2,22,24)/t17-,19+/m1/s1
InChIKeyFSJWOSWTYREBLM-MJGOQNOKSA-N
MW338.45 g/mol
LogP3.90
Rot. Bonds6

About 2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide (PubChem CID 140776979) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
PubChem CID140776979
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCCc1cc(CO[C@H]2CCC[C@H]2c2ncccc2C(N)=O)ccc1C
InChIInChI=1S/C21H26N2O2/c1-3-16-12-15(10-9-14(16)2)13-25-19-8-4-6-17(19)20-18(21(22)24)7-5-11-23-20/h5,7,9-12,17,19H,3-4,6,8,13H2,1-2H3,(H2,22,24)/t17-,19+/m1/s1
InChIKeyFSJWOSWTYREBLM-MJGOQNOKSA-N
XLogP3.90
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-4-methylphenyl)methyl]cyclopentan-1-amine
CID 170100233
tert-butyl (3S,4S)-3-amino-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 145269382
2-[2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide
CID 140519169
(3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine
CID 126671210
2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
4-[(2-ethylcyclohexyl)oxymethyl]pyridine-2-carbothioamide
CID 63882514
2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide
CID 65471386
2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105083488
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
2-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 142681726
2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105083502

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide (CID 140776979) is 2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide is CCc1cc(CO[C@H]2CCC[C@H]2c2ncccc2C(N)=O)ccc1C.
What is the InChIKey of 2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The InChIKey is FSJWOSWTYREBLM-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-16-12-15(10-9-14(16)2)13-25-19-8-4-6-17(19)20-18(21(22)24)7-5-11-23-20/h5,7,9-12,17,19H,3-4,6,8,13H2,1-2H3,(H2,22,24)/t17-,19+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-[(3-ethyl-4-methylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 140776979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).