[6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone

C15H19ClN2O2 — CID 167425557

IUPAC[6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone
SMILESO=C(c1cnc(Cl)cc1NC1CCC(O)CC1)C1CC1
InChIInChI=1S/C15H19ClN2O2/c16-14-7-13(18-10-3-5-11(19)6-4-10)12(8-17-14)15(20)9-1-2-9/h7-11,19H,1-6H2,(H,17,18)
InChIKeyJWLWQNQBVNTOOJ-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.04
Rot. Bonds4

About [6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone

[6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone (PubChem CID 167425557) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is [6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone.

Molecular Properties

Compound Name[6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone
PubChem CID167425557
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name[6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone
SMILESO=C(c1cnc(Cl)cc1NC1CCC(O)CC1)C1CC1
InChIInChI=1S/C15H19ClN2O2/c16-14-7-13(18-10-3-5-11(19)6-4-10)12(8-17-14)15(20)9-1-2-9/h7-11,19H,1-6H2,(H,17,18)
InChIKeyJWLWQNQBVNTOOJ-UHFFFAOYSA-N
XLogP3.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone?
The IUPAC name of [6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone (CID 167425557) is [6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone.
What is the SMILES notation for [6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone?
The canonical SMILES for [6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone is O=C(c1cnc(Cl)cc1NC1CCC(O)CC1)C1CC1.
What is the InChIKey of [6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone?
The InChIKey is JWLWQNQBVNTOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-14-7-13(18-10-3-5-11(19)6-4-10)12(8-17-14)15(20)9-1-2-9/h7-11,19H,1-6H2,(H,17,18).
What are the key properties of [6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone?
[6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone has a molecular weight of 294.78 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone is sourced from PubChem (CID 167425557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).