1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide

C18H22ClN5O — CID 118450671

IUPAC1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)C1CC1
InChIInChI=1S/C18H22ClN5O/c1-22(15-2-3-15)18(25)13-5-8-23(9-6-13)17-11-20-7-4-16(17)24-12-14(19)10-21-24/h4,7,10-13,15H,2-3,5-6,8-9H2,1H3
InChIKeyUVBCEQOTQRQSDX-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.76
Rot. Bonds4

About 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide

1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide (PubChem CID 118450671) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide
PubChem CID118450671
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)C1CC1
InChIInChI=1S/C18H22ClN5O/c1-22(15-2-3-15)18(25)13-5-8-23(9-6-13)17-11-20-7-4-16(17)24-12-14(19)10-21-24/h4,7,10-13,15H,2-3,5-6,8-9H2,1H3
InChIKeyUVBCEQOTQRQSDX-UHFFFAOYSA-N
XLogP2.76
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide (CID 118450671) is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide is CN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)C1CC1.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide?
The InChIKey is UVBCEQOTQRQSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-22(15-2-3-15)18(25)13-5-8-23(9-6-13)17-11-20-7-4-16(17)24-12-14(19)10-21-24/h4,7,10-13,15H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide?
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-cyclopropyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 118450671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).