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

C17H20N4O — CID 23725592

IUPAC[6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCCCC3)cn2)cn1
InChIInChI=1S/C17H20N4O/c1-13-5-7-15(12-18-13)20-16-8-6-14(11-19-16)17(22)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyQRVCWZSQSJQWPT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.15
Rot. Bonds3

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

[6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 23725592) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID23725592
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCCCC3)cn2)cn1
InChIInChI=1S/C17H20N4O/c1-13-5-7-15(12-18-13)20-16-8-6-14(11-19-16)17(22)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyQRVCWZSQSJQWPT-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 23725592) is [6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is Cc1ccc(Nc2ccc(C(=O)N3CCCCC3)cn2)cn1.
What is the InChIKey of [6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is QRVCWZSQSJQWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-5-7-15(12-18-13)20-16-8-6-14(11-19-16)17(22)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20).
What are the key properties of [6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 23725592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).