6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide

C22H24Cl2N2O3 — CID 11951300

IUPAC6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H24Cl2N2O3/c23-15-7-8-16(18(24)10-15)17-9-14(11-25-22(17)29-12-13-5-6-13)21(28)26-19-3-1-2-4-20(19)27/h7-11,13,19-20,27H,1-6,12H2,(H,26,28)/t19-,20-/m1/s1
InChIKeyVXOFKEPQXWJWIW-WOJBJXKFSA-N
MW435.35 g/mol
LogP4.88
Rot. Bonds6

About 6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide

6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (PubChem CID 11951300) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
PubChem CID11951300
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC Name6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C22H24Cl2N2O3/c23-15-7-8-16(18(24)10-15)17-9-14(11-25-22(17)29-12-13-5-6-13)21(28)26-19-3-1-2-4-20(19)27/h7-11,13,19-20,27H,1-6,12H2,(H,26,28)/t19-,20-/m1/s1
InChIKeyVXOFKEPQXWJWIW-WOJBJXKFSA-N
XLogP4.88
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide (CID 11951300) is 6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
The InChIKey is VXOFKEPQXWJWIW-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c23-15-7-8-16(18(24)10-15)17-9-14(11-25-22(17)29-12-13-5-6-13)21(28)26-19-3-1-2-4-20(19)27/h7-11,13,19-20,27H,1-6,12H2,(H,26,28)/t19-,20-/m1/s1.
What are the key properties of 6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide?
6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide has a molecular weight of 435.35 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(2,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 11951300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).