N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide

C19H23F2N5O — CID 118450685

IUPACN-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)NCC3CC3)C(F)(F)C2)c1
InChIInChI=1S/C19H23F2N5O/c1-13-8-24-26(11-13)16-4-6-22-10-17(16)25-7-5-15(19(20,21)12-25)18(27)23-9-14-2-3-14/h4,6,8,10-11,14-15H,2-3,5,7,9,12H2,1H3,(H,23,27)
InChIKeyUKCXKTCJLGQXRP-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.56
Rot. Bonds5

About N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide

N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 118450685) has the molecular formula C19H23F2N5O and a molecular weight of 375.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID118450685
Molecular FormulaC19H23F2N5O
Molecular Weight375.42 g/mol
Exact Mass375.19
IUPAC NameN-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)NCC3CC3)C(F)(F)C2)c1
InChIInChI=1S/C19H23F2N5O/c1-13-8-24-26(11-13)16-4-6-22-10-17(16)25-7-5-15(19(20,21)12-25)18(27)23-9-14-2-3-14/h4,6,8,10-11,14-15H,2-3,5,7,9,12H2,1H3,(H,23,27)
InChIKeyUKCXKTCJLGQXRP-UHFFFAOYSA-N
XLogP2.56
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide (CID 118450685) is N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide is Cc1cnn(-c2ccncc2N2CCC(C(=O)NCC3CC3)C(F)(F)C2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is UKCXKTCJLGQXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O/c1-13-8-24-26(11-13)16-4-6-22-10-17(16)25-7-5-15(19(20,21)12-25)18(27)23-9-14-2-3-14/h4,6,8,10-11,14-15H,2-3,5,7,9,12H2,1H3,(H,23,27).
What are the key properties of N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,3-difluoro-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 118450685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).