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

C19H24ClN5O2 — CID 118450485

IUPAC1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)[C@H]1CCOC1
InChIInChI=1S/C19H24ClN5O2/c1-23(16-5-9-27-13-16)19(26)14-3-7-24(8-4-14)18-11-21-6-2-17(18)25-12-15(20)10-22-25/h2,6,10-12,14,16H,3-5,7-9,13H2,1H3/t16-/m0/s1
InChIKeyUILLLRHSHNNGLR-INIZCTEOSA-N
MW389.89 g/mol
LogP2.38
Rot. Bonds4

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

1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 118450485) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide
PubChem CID118450485
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)[C@H]1CCOC1
InChIInChI=1S/C19H24ClN5O2/c1-23(16-5-9-27-13-16)19(26)14-3-7-24(8-4-14)18-11-21-6-2-17(18)25-12-15(20)10-22-25/h2,6,10-12,14,16H,3-5,7-9,13H2,1H3/t16-/m0/s1
InChIKeyUILLLRHSHNNGLR-INIZCTEOSA-N
XLogP2.38
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.38
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-[(3S)-oxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide (CID 118450485) is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide is CN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)[C@H]1CCOC1.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is UILLLRHSHNNGLR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-23(16-5-9-27-13-16)19(26)14-3-7-24(8-4-14)18-11-21-6-2-17(18)25-12-15(20)10-22-25/h2,6,10-12,14,16H,3-5,7-9,13H2,1H3/t16-/m0/s1.
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide?
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-[(3S)-oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 2.38, 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-[(3S)-oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 118450485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).