N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide

C21H29N5O2 — CID 118450486

IUPACN-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N(C)C3CCOCC3)CC2)c1
InChIInChI=1S/C21H29N5O2/c1-16-13-23-26(15-16)19-3-8-22-14-20(19)25-9-4-17(5-10-25)21(27)24(2)18-6-11-28-12-7-18/h3,8,13-15,17-18H,4-7,9-12H2,1-2H3
InChIKeyPQMGAJQTMKNALV-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.43
Rot. Bonds4

About N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide

N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 118450486) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID118450486
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N(C)C3CCOCC3)CC2)c1
InChIInChI=1S/C21H29N5O2/c1-16-13-23-26(15-16)19-3-8-22-14-20(19)25-9-4-17(5-10-25)21(27)24(2)18-6-11-28-12-7-18/h3,8,13-15,17-18H,4-7,9-12H2,1-2H3
InChIKeyPQMGAJQTMKNALV-UHFFFAOYSA-N
XLogP2.43
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cholesterol 24-hydroxylase-IN-1
CID 118450616
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
N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 118450576
US9963443, Reference Example 5
CID 76283990
US9963443, Reference Example 20
CID 76284254
US9963443, Reference Example 26
CID 76284255
US9963443, Reference Example 4
CID 118450573
US9963443, Reference Example 3
CID 118450643

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide (CID 118450486) is N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide is Cc1cnn(-c2ccncc2N2CCC(C(=O)N(C)C3CCOCC3)CC2)c1.
What is the InChIKey of N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is PQMGAJQTMKNALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16-13-23-26(15-16)19-3-8-22-14-20(19)25-9-4-17(5-10-25)21(27)24(2)18-6-11-28-12-7-18/h3,8,13-15,17-18H,4-7,9-12H2,1-2H3.
What are the key properties of N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide?
N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118450486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).