N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide

C17H20ClN5O3 — CID 166251824

IUPACN-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H20ClN5O3/c1-22-10-13(16(21-22)26-2)17(25)23-7-5-11(6-8-23)15(24)20-14-4-3-12(18)9-19-14/h3-4,9-11H,5-8H2,1-2H3,(H,19,20,24)
InChIKeyBJXBAEUZVXHBFD-UHFFFAOYSA-N
MW377.83 g/mol
LogP1.97
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 166251824) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID166251824
Molecular FormulaC17H20ClN5O3
Molecular Weight377.83 g/mol
Exact Mass377.13
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H20ClN5O3/c1-22-10-13(16(21-22)26-2)17(25)23-7-5-11(6-8-23)15(24)20-14-4-3-12(18)9-19-14/h3-4,9-11H,5-8H2,1-2H3,(H,19,20,24)
InChIKeyBJXBAEUZVXHBFD-UHFFFAOYSA-N
XLogP1.97
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 71782948
N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 55815413
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157
N-(5-chloro-2-pyridinyl)-1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 55813064
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122248430
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
N-(5-chloro-2-pyridinyl)-1-(4-cyclopentyloxy-3-methoxybenzoyl)piperidine-4-carboxamide
CID 55923905
N-(5-chloro-2-pyridinyl)-1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidine-4-carboxamide
CID 55931538
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(5-chloro-2-pyridinyl)-1-(4-fluoro-2-iodobenzoyl)piperidine-4-carboxamide
CID 55925189
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide (CID 166251824) is N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide is COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is BJXBAEUZVXHBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O3/c1-22-10-13(16(21-22)26-2)17(25)23-7-5-11(6-8-23)15(24)20-14-4-3-12(18)9-19-14/h3-4,9-11H,5-8H2,1-2H3,(H,19,20,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 1.97, 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-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 166251824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).