[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

C17H19ClN4O — CID 23725445

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)cn1
InChIInChI=1S/C17H19ClN4O/c1-12-5-6-14(11-19-12)21-16-15(18)9-13(10-20-16)17(23)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyZVUJPFSWEVYLFO-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.81
Rot. Bonds3

About [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 23725445) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID23725445
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)cn1
InChIInChI=1S/C17H19ClN4O/c1-12-5-6-14(11-19-12)21-16-15(18)9-13(10-20-16)17(23)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyZVUJPFSWEVYLFO-UHFFFAOYSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 23725445) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is Cc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is ZVUJPFSWEVYLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-12-5-6-14(11-19-12)21-16-15(18)9-13(10-20-16)17(23)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21).
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 330.82 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 23725445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).