N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide

C20H19ClN6O2 — CID 55924538

IUPACN-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1
InChIInChI=1S/C20H19ClN6O2/c21-16-3-4-17(22-13-16)25-19(28)14-6-10-26(11-7-14)20(29)15-2-5-18(23-12-15)27-9-1-8-24-27/h1-5,8-9,12-14H,6-7,10-11H2,(H,22,25,28)
InChIKeyGRMPTVDTCCGYHD-UHFFFAOYSA-N
MW410.87 g/mol
LogP2.81
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 55924538) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID55924538
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1
InChIInChI=1S/C20H19ClN6O2/c21-16-3-4-17(22-13-16)25-19(28)14-6-10-26(11-7-14)20(29)15-2-5-18(23-12-15)27-9-1-8-24-27/h1-5,8-9,12-14H,6-7,10-11H2,(H,22,25,28)
InChIKeyGRMPTVDTCCGYHD-UHFFFAOYSA-N
XLogP2.81
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110090789
N-(5-chloro-2-pyridinyl)-1-[2-(4-fluorobenzoyl)benzoyl]piperidine-4-carboxamide
CID 55924923
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-3-carboxamide
CID 55922538
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(5-chloro-2-pyridinyl)-1-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperidine-4-carboxamide
CID 55931661
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
N-(5-chloro-2-pyridinyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-4-carboxamide
CID 55923905
N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 55818555

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide (CID 55924538) is N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is GRMPTVDTCCGYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c21-16-3-4-17(22-13-16)25-19(28)14-6-10-26(11-7-14)20(29)15-2-5-18(23-12-15)27-9-1-8-24-27/h1-5,8-9,12-14H,6-7,10-11H2,(H,22,25,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 410.87 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55924538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).