1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C19H23ClN6O2 — CID 55970201

IUPAC1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C19H23ClN6O2/c1-12-15(18(20)25(2)24-12)6-8-17(27)23-14-5-7-16(22-10-14)26-9-3-4-13(11-26)19(21)28/h5-8,10,13H,3-4,9,11H2,1-2H3,(H2,21,28)(H,23,27)/b8-6+
InChIKeyRGYLUPQQHYFSOT-SOFGYWHQSA-N
MW402.89 g/mol
LogP2.13
Rot. Bonds5

About 1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55970201) has the molecular formula C19H23ClN6O2 and a molecular weight of 402.89 g/mol. Its IUPAC name is 1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55970201
Molecular FormulaC19H23ClN6O2
Molecular Weight402.89 g/mol
Exact Mass402.16
IUPAC Name1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C19H23ClN6O2/c1-12-15(18(20)25(2)24-12)6-8-17(27)23-14-5-7-16(22-10-14)26-9-3-4-13(11-26)19(21)28/h5-8,10,13H,3-4,9,11H2,1-2H3,(H2,21,28)(H,23,27)/b8-6+
InChIKeyRGYLUPQQHYFSOT-SOFGYWHQSA-N
XLogP2.13
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700900
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
1-[5-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701062
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
1-[5-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971342
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55970967
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701006

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55970201) is 1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1.
What is the InChIKey of 1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is RGYLUPQQHYFSOT-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H23ClN6O2/c1-12-15(18(20)25(2)24-12)6-8-17(27)23-14-5-7-16(22-10-14)26-9-3-4-13(11-26)19(21)28/h5-8,10,13H,3-4,9,11H2,1-2H3,(H2,21,28)(H,23,27)/b8-6+.
What are the key properties of 1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 402.89 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55970201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).