N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide

C32H38N6O3 — CID 135329964

IUPACN-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C5CC5)c4)ccn3)CC2)nc1C#N
InChIInChI=1S/C32H38N6O3/c1-41-30-13-12-28(36-29(30)17-33)22-4-2-21(3-5-22)19-37(32(40)23-6-10-27(39)11-7-23)31-16-24(14-15-34-31)25-18-35-38(20-25)26-8-9-26/h12-16,18,20-23,26-27,39H,2-11,19H2,1H3
InChIKeyBEBICXOGSPVHAM-UHFFFAOYSA-N
MW554.70 g/mol
LogP5.41
Rot. Bonds8

About N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide

N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 135329964) has the molecular formula C32H38N6O3 and a molecular weight of 554.70 g/mol. Its IUPAC name is N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID135329964
Molecular FormulaC32H38N6O3
Molecular Weight554.70 g/mol
Exact Mass554.30
IUPAC NameN-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C5CC5)c4)ccn3)CC2)nc1C#N
InChIInChI=1S/C32H38N6O3/c1-41-30-13-12-28(36-29(30)17-33)22-4-2-21(3-5-22)19-37(32(40)23-6-10-27(39)11-7-23)31-16-24(14-15-34-31)25-18-35-38(20-25)26-8-9-26/h12-16,18,20-23,26-27,39H,2-11,19H2,1H3
InChIKeyBEBICXOGSPVHAM-UHFFFAOYSA-N
XLogP5.41
TPSA117.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.70
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide (CID 135329964) is N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cc(-c4cnn(C5CC5)c4)ccn3)CC2)nc1C#N.
What is the InChIKey of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is BEBICXOGSPVHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O3/c1-41-30-13-12-28(36-29(30)17-33)22-4-2-21(3-5-22)19-37(32(40)23-6-10-27(39)11-7-23)31-16-24(14-15-34-31)25-18-35-38(20-25)26-8-9-26/h12-16,18,20-23,26-27,39H,2-11,19H2,1H3.
What are the key properties of N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide?
N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 554.70 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-cyano-5-methoxy-2-pyridinyl)cyclohexyl]methyl]-N-[4-(1-cyclopropylpyrazol-4-yl)-2-pyridinyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 135329964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).