cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C18H25N3O2 — CID 96526962

IUPACcis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)ccn1
InChIInChI=1S/C18H25N3O2/c1-13-12-14(8-9-19-13)20-17(22)15-6-2-3-7-16(15)18(23)21-10-4-5-11-21/h8-9,12,15-16H,2-7,10-11H2,1H3,(H,19,20,22)/t15-,16+/m1/s1
InChIKeyYOWIRVMUXUISKI-CVEARBPZSA-N
MW315.42 g/mol
LogP2.76
Rot. Bonds3

About cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 96526962) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID96526962
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Namecis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)ccn1
InChIInChI=1S/C18H25N3O2/c1-13-12-14(8-9-19-13)20-17(22)15-6-2-3-7-16(15)18(23)21-10-4-5-11-21/h8-9,12,15-16H,2-7,10-11H2,1H3,(H,19,20,22)/t15-,16+/m1/s1
InChIKeyYOWIRVMUXUISKI-CVEARBPZSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methyl-4-pyridinyl)cyclopentane-1-carboxamide
CID 79240939
(1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 124621745
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119351907
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
CID 96526953
4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
CID 79241184
trans-(1S,2S)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526857
trans-(1R,2R)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526858
N-(3,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131966
N-(2-methyl-4-pyridinyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 112803594
cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092714
N-(2-methyl-4-pyridinyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119832878

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 96526962) is cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)ccn1.
What is the InChIKey of cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is YOWIRVMUXUISKI-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-12-14(8-9-19-13)20-17(22)15-6-2-3-7-16(15)18(23)21-10-4-5-11-21/h8-9,12,15-16H,2-7,10-11H2,1H3,(H,19,20,22)/t15-,16+/m1/s1.
What are the key properties of cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 96526962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).