1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide

C21H23N5O — CID 118450436

IUPAC1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C21H23N5O/c1-16-13-23-26(15-16)19-7-10-22-14-20(19)25-11-8-17(9-12-25)21(27)24-18-5-3-2-4-6-18/h2-7,10,13-15,17H,8-9,11-12H2,1H3,(H,24,27)
InChIKeyZLNJKBZGWZGIQG-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.43
Rot. Bonds4

About 1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide

1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 118450436) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide
PubChem CID118450436
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C21H23N5O/c1-16-13-23-26(15-16)19-7-10-22-14-20(19)25-11-8-17(9-12-25)21(27)24-18-5-3-2-4-6-18/h2-7,10,13-15,17H,8-9,11-12H2,1H3,(H,24,27)
InChIKeyZLNJKBZGWZGIQG-UHFFFAOYSA-N
XLogP3.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cholesterol 24-hydroxylase-IN-1
CID 118450616
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(6-pyridin-3-yl-3-pyridinyl)propanamide
CID 117671078
1-(4-(4-cyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450464
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
CID 118450657
N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
1-(4-(4-bromo-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450728
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide
CID 125487493
3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 126568659
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568661
(E)-N-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568746

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide (CID 118450436) is 1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide is Cc1cnn(-c2ccncc2N2CCC(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is ZLNJKBZGWZGIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-13-23-26(15-16)19-7-10-22-14-20(19)25-11-8-17(9-12-25)21(27)24-18-5-3-2-4-6-18/h2-7,10,13-15,17H,8-9,11-12H2,1H3,(H,24,27).
What are the key properties of 1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide?
1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 118450436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).