N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide

C23H29F2N3O3 — CID 142471211

IUPACN-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(OC)nc1)C1CCC(c2ccnc(OC)c2C(F)F)CC1
InChIInChI=1S/C23H29F2N3O3/c1-4-18(28-22(29)16-9-10-19(30-2)27-13-16)15-7-5-14(6-8-15)17-11-12-26-23(31-3)20(17)21(24)25/h9-15,18,21H,4-8H2,1-3H3,(H,28,29)/t14?,15?,18-/m1/s1
InChIKeyVUXXMKIAYMJEHC-JTTJXQCZSA-N
MW433.50 g/mol
LogP4.91
Rot. Bonds8

About N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide

N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide (PubChem CID 142471211) has the molecular formula C23H29F2N3O3 and a molecular weight of 433.50 g/mol. Its IUPAC name is N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide
PubChem CID142471211
Molecular FormulaC23H29F2N3O3
Molecular Weight433.50 g/mol
Exact Mass433.22
IUPAC NameN-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(OC)nc1)C1CCC(c2ccnc(OC)c2C(F)F)CC1
InChIInChI=1S/C23H29F2N3O3/c1-4-18(28-22(29)16-9-10-19(30-2)27-13-16)15-7-5-14(6-8-15)17-11-12-26-23(31-3)20(17)21(24)25/h9-15,18,21H,4-8H2,1-3H3,(H,28,29)/t14?,15?,18-/m1/s1
InChIKeyVUXXMKIAYMJEHC-JTTJXQCZSA-N
XLogP4.91
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide (CID 142471211) is N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide is CC[C@@H](NC(=O)c1ccc(OC)nc1)C1CCC(c2ccnc(OC)c2C(F)F)CC1.
What is the InChIKey of N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is VUXXMKIAYMJEHC-JTTJXQCZSA-N. The full InChI is InChI=1S/C23H29F2N3O3/c1-4-18(28-22(29)16-9-10-19(30-2)27-13-16)15-7-5-14(6-8-15)17-11-12-26-23(31-3)20(17)21(24)25/h9-15,18,21H,4-8H2,1-3H3,(H,28,29)/t14?,15?,18-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide?
N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 433.50 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 142471211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).