1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

C19H25ClN6O2 — CID 86947532

IUPAC1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)c3cc(Cl)nc(N(C)C)c3)CC2)cn1
InChIInChI=1S/C19H25ClN6O2/c1-4-26-12-15(11-21-26)22-18(27)13-5-7-25(8-6-13)19(28)14-9-16(20)23-17(10-14)24(2)3/h9-13H,4-8H2,1-3H3,(H,22,27)
InChIKeyWYLNPQHQPMMKBO-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.51
Rot. Bonds5

About 1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 86947532) has the molecular formula C19H25ClN6O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID86947532
Molecular FormulaC19H25ClN6O2
Molecular Weight404.90 g/mol
Exact Mass404.17
IUPAC Name1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)c3cc(Cl)nc(N(C)C)c3)CC2)cn1
InChIInChI=1S/C19H25ClN6O2/c1-4-26-12-15(11-21-26)22-18(27)13-5-7-25(8-6-13)19(28)14-9-16(20)23-17(10-14)24(2)3/h9-13H,4-8H2,1-3H3,(H,22,27)
InChIKeyWYLNPQHQPMMKBO-UHFFFAOYSA-N
XLogP2.51
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[5-bromo-2-(dimethylamino)pyridine-3-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947533
1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973530
1-(5-chloropyrimidin-2-yl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 71980297
N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide
CID 86882226
N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 47813826
1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882198
[2-chloro-6-(dimethylamino)-4-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561849
1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86949523
N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386
N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972
N-(1-ethylpyrazol-4-yl)-1-[1-(4-fluorophenyl)-5-methyltriazole-4-carbonyl]piperidine-4-carboxamide
CID 86882199
1-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973540

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (CID 86947532) is 1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)c3cc(Cl)nc(N(C)C)c3)CC2)cn1.
What is the InChIKey of 1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is WYLNPQHQPMMKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O2/c1-4-26-12-15(11-21-26)22-18(27)13-5-7-25(8-6-13)19(28)14-9-16(20)23-17(10-14)24(2)3/h9-13H,4-8H2,1-3H3,(H,22,27).
What are the key properties of 1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86947532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).