[6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

C16H17ClN4O — CID 23725388

IUPAC[6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Cl)cn2)nc1)N1CCCCC1
InChIInChI=1S/C16H17ClN4O/c17-13-5-7-15(19-11-13)20-14-6-4-12(10-18-14)16(22)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,18,19,20)
InChIKeyCIFWMJLWEDHFFC-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.50
Rot. Bonds3

About [6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone

[6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 23725388) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is [6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID23725388
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name[6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Cl)cn2)nc1)N1CCCCC1
InChIInChI=1S/C16H17ClN4O/c17-13-5-7-15(19-11-13)20-14-6-4-12(10-18-14)16(22)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,18,19,20)
InChIKeyCIFWMJLWEDHFFC-UHFFFAOYSA-N
XLogP3.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 23725388) is [6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(Nc2ccc(Cl)cn2)nc1)N1CCCCC1.
What is the InChIKey of [6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is CIFWMJLWEDHFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-13-5-7-15(19-11-13)20-14-6-4-12(10-18-14)16(22)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,18,19,20).
What are the key properties of [6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 316.79 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-chloro-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 23725388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).