cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide

C18H23N5O2 — CID 97216669

IUPACcis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESC[C@@H]1CCC[C@H](C(=O)Nc2cnn(CC(=O)Nc3cccnc3)c2)C1
InChIInChI=1S/C18H23N5O2/c1-13-4-2-5-14(8-13)18(25)22-16-10-20-23(11-16)12-17(24)21-15-6-3-7-19-9-15/h3,6-7,9-11,13-14H,2,4-5,8,12H2,1H3,(H,21,24)(H,22,25)/t13-,14+/m1/s1
InChIKeyUURXZJYPWVSPTR-KGLIPLIRSA-N
MW341.42 g/mol
LogP2.68
Rot. Bonds5

About cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide

cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide (PubChem CID 97216669) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
PubChem CID97216669
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Namecis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESC[C@@H]1CCC[C@H](C(=O)Nc2cnn(CC(=O)Nc3cccnc3)c2)C1
InChIInChI=1S/C18H23N5O2/c1-13-4-2-5-14(8-13)18(25)22-16-10-20-23(11-16)12-17(24)21-15-6-3-7-19-9-15/h3,6-7,9-11,13-14H,2,4-5,8,12H2,1H3,(H,21,24)(H,22,25)/t13-,14+/m1/s1
InChIKeyUURXZJYPWVSPTR-KGLIPLIRSA-N
XLogP2.68
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,3S)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 97216672
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119728671
3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide
CID 166212586
2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609283
3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 86779908
3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119800850
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
N-propan-2-yl-3-(pyridin-3-ylcarbamoylamino)cyclohexane-1-carboxamide
CID 56791594
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide (CID 97216669) is cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide is C[C@@H]1CCC[C@H](C(=O)Nc2cnn(CC(=O)Nc3cccnc3)c2)C1.
What is the InChIKey of cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The InChIKey is UURXZJYPWVSPTR-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-4-2-5-14(8-13)18(25)22-16-10-20-23(11-16)12-17(24)21-15-6-3-7-19-9-15/h3,6-7,9-11,13-14H,2,4-5,8,12H2,1H3,(H,21,24)(H,22,25)/t13-,14+/m1/s1.
What are the key properties of cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 97216669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).