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

C20H26ClN5O2 — CID 118450643

IUPAC1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)C1CCOCC1
InChIInChI=1S/C20H26ClN5O2/c1-24(17-5-10-28-11-6-17)20(27)15-3-8-25(9-4-15)19-13-22-7-2-18(19)26-14-16(21)12-23-26/h2,7,12-15,17H,3-6,8-11H2,1H3
InChIKeyHLAZCQCRADSTHS-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.77
Rot. Bonds4

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

1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 118450643) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID118450643
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)C1CCOCC1
InChIInChI=1S/C20H26ClN5O2/c1-24(17-5-10-28-11-6-17)20(27)15-3-8-25(9-4-15)19-13-22-7-2-18(19)26-14-16(21)12-23-26/h2,7,12-15,17H,3-6,8-11H2,1H3
InChIKeyHLAZCQCRADSTHS-UHFFFAOYSA-N
XLogP2.77
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide (CID 118450643) is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide is CN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)C1CCOCC1.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is HLAZCQCRADSTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O2/c1-24(17-5-10-28-11-6-17)20(27)15-3-8-25(9-4-15)19-13-22-7-2-18(19)26-14-16(21)12-23-26/h2,7,12-15,17H,3-6,8-11H2,1H3.
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118450643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).