N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

C15H17Cl2N5O — CID 171993626

IUPACN-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3ncc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C15H17Cl2N5O/c1-21-5-4-13(20-21)15(23)19-11-2-6-22(7-3-11)14-12(17)8-10(16)9-18-14/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,23)
InChIKeyILTFKCQEVLVQOP-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.52
Rot. Bonds3

About N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171993626) has the molecular formula C15H17Cl2N5O and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171993626
Molecular FormulaC15H17Cl2N5O
Molecular Weight354.24 g/mol
Exact Mass353.08
IUPAC NameN-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3ncc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C15H17Cl2N5O/c1-21-5-4-13(20-21)15(23)19-11-2-6-22(7-3-11)14-12(17)8-10(16)9-18-14/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,23)
InChIKeyILTFKCQEVLVQOP-UHFFFAOYSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 171993626) is N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCN(c3ncc(Cl)cc3Cl)CC2)n1.
What is the InChIKey of N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is ILTFKCQEVLVQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O/c1-21-5-4-13(20-21)15(23)19-11-2-6-22(7-3-11)14-12(17)8-10(16)9-18-14/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,23).
What are the key properties of N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 354.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171993626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).