4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide

C22H25N5O — CID 172533416

IUPAC4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
SMILESCc1cccnc1N(C(=O)c1ccc(-c2cnn(C)c2)cc1)C1CCCNC1
InChIInChI=1S/C22H25N5O/c1-16-5-3-12-24-21(16)27(20-6-4-11-23-14-20)22(28)18-9-7-17(8-10-18)19-13-25-26(2)15-19/h3,5,7-10,12-13,15,20,23H,4,6,11,14H2,1-2H3
InChIKeyKVSKOFFSRVVKCT-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.19
Rot. Bonds4

About 4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide

4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide (PubChem CID 172533416) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
PubChem CID172533416
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
SMILESCc1cccnc1N(C(=O)c1ccc(-c2cnn(C)c2)cc1)C1CCCNC1
InChIInChI=1S/C22H25N5O/c1-16-5-3-12-24-21(16)27(20-6-4-11-23-14-20)22(28)18-9-7-17(8-10-18)19-13-25-26(2)15-19/h3,5,7-10,12-13,15,20,23H,4,6,11,14H2,1-2H3
InChIKeyKVSKOFFSRVVKCT-UHFFFAOYSA-N
XLogP3.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 140933909
N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532265
[2-methyl-1-[5-[1-methyl-4-[4-[(3-methyl-2-pyridinyl)-piperidin-3-ylcarbamoyl]phenyl]pyrazol-5-yl]tetrazol-2-yl]propyl] propan-2-yl carbonate
CID 123290309
N-(5-fluoro-8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-piperidin-3-ylbenzamide
CID 172533403
N-(6-fluoro-8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172531967
N-(6-chloro-8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-piperidin-3-ylbenzamide
CID 172531923
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933923
N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide
CID 172532418
(NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine
CID 172973603
N-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933927
2-fluoro-N-(8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533003
2-fluoro-4-(1-methylpyrazol-4-yl)-N-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532411

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide (CID 172533416) is 4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide is Cc1cccnc1N(C(=O)c1ccc(-c2cnn(C)c2)cc1)C1CCCNC1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide?
The InChIKey is KVSKOFFSRVVKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-5-3-12-24-21(16)27(20-6-4-11-23-14-20)22(28)18-9-7-17(8-10-18)19-13-25-26(2)15-19/h3,5,7-10,12-13,15,20,23H,4,6,11,14H2,1-2H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide?
4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide has a molecular weight of 375.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 172533416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).