trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C18H23N5O — CID 167979791

IUPACtrans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCN1CCC(n2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cn2)CC1
InChIInChI=1S/C18H23N5O/c1-22-7-4-15(5-8-22)23-12-14(11-20-23)21-18(24)17-9-16(17)13-3-2-6-19-10-13/h2-3,6,10-12,15-17H,4-5,7-9H2,1H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyOKRYCKULSKPWQH-DLBZAZTESA-N
MW325.42 g/mol
LogP2.29
Rot. Bonds4

About trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 167979791) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID167979791
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Nametrans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCN1CCC(n2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cn2)CC1
InChIInChI=1S/C18H23N5O/c1-22-7-4-15(5-8-22)23-12-14(11-20-23)21-18(24)17-9-16(17)13-3-2-6-19-10-13/h2-3,6,10-12,15-17H,4-5,7-9H2,1H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyOKRYCKULSKPWQH-DLBZAZTESA-N
XLogP2.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167939021
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-phenyl-1,3-dioxane-4-carboxamide
CID 167909689
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 167966444
N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 90135037
N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 123586966
cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 124742862
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515
trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95171765
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide
CID 138010977
methyl (2R)-3,3-dimethyl-2-[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]butanoate
CID 129428950
5,6-dimethyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 167934182
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 167979791) is trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is CN1CCC(n2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cn2)CC1.
What is the InChIKey of trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is OKRYCKULSKPWQH-DLBZAZTESA-N. The full InChI is InChI=1S/C18H23N5O/c1-22-7-4-15(5-8-22)23-12-14(11-20-23)21-18(24)17-9-16(17)13-3-2-6-19-10-13/h2-3,6,10-12,15-17H,4-5,7-9H2,1H3,(H,21,24)/t16-,17+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 167979791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).