N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

C34H44N4O3 — CID 135329961

IUPACN-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C5CC5)c4)cc(C)n3)CC2)cc1C
InChIInChI=1S/C34H44N4O3/c1-22-16-27(10-15-32(22)41-3)25-6-4-24(5-7-25)20-37(34(40)26-8-13-31(39)14-9-26)33-18-28(17-23(2)36-33)29-19-35-38(21-29)30-11-12-30/h10,15-19,21,24-26,30-31,39H,4-9,11-14,20H2,1-3H3
InChIKeyKWQIPPUITZKGHB-UHFFFAOYSA-N
MW556.75 g/mol
LogP6.76
Rot. Bonds8

About N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide

N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 135329961) has the molecular formula C34H44N4O3 and a molecular weight of 556.75 g/mol. Its IUPAC name is N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
PubChem CID135329961
Molecular FormulaC34H44N4O3
Molecular Weight556.75 g/mol
Exact Mass556.34
IUPAC NameN-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C5CC5)c4)cc(C)n3)CC2)cc1C
InChIInChI=1S/C34H44N4O3/c1-22-16-27(10-15-32(22)41-3)25-6-4-24(5-7-25)20-37(34(40)26-8-13-31(39)14-9-26)33-18-28(17-23(2)36-33)29-19-35-38(21-29)30-11-12-30/h10,15-19,21,24-26,30-31,39H,4-9,11-14,20H2,1-3H3
InChIKeyKWQIPPUITZKGHB-UHFFFAOYSA-N
XLogP6.76
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 135329961) is N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C5CC5)c4)cc(C)n3)CC2)cc1C.
What is the InChIKey of N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is KWQIPPUITZKGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O3/c1-22-16-27(10-15-32(22)41-3)25-6-4-24(5-7-25)20-37(34(40)26-8-13-31(39)14-9-26)33-18-28(17-23(2)36-33)29-19-35-38(21-29)30-11-12-30/h10,15-19,21,24-26,30-31,39H,4-9,11-14,20H2,1-3H3.
What are the key properties of N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide?
N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 556.75 g/mol, XLogP of 6.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropylpyrazol-4-yl)-6-methyl-2-pyridinyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135329961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).