4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide

C34H34N4O4 — CID 153331834

IUPAC4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2cc(C3CC3)c(CO)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CO)cn2)c1C
InChIInChI=1S/C34H34N4O4/c1-19-25(5-3-7-29(19)37-33(41)31-13-27(21-9-10-21)23(17-39)15-35-31)26-6-4-8-30(20(26)2)38-34(42)32-14-28(22-11-12-22)24(18-40)16-36-32/h3-8,13-16,21-22,39-40H,9-12,17-18H2,1-2H3,(H,37,41)(H,38,42)
InChIKeyCAXVGPYFICAILT-UHFFFAOYSA-N
MW562.67 g/mol
LogP6.00
Rot. Bonds9

About 4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide

4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 153331834) has the molecular formula C34H34N4O4 and a molecular weight of 562.67 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID153331834
Molecular FormulaC34H34N4O4
Molecular Weight562.67 g/mol
Exact Mass562.26
IUPAC Name4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2cc(C3CC3)c(CO)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CO)cn2)c1C
InChIInChI=1S/C34H34N4O4/c1-19-25(5-3-7-29(19)37-33(41)31-13-27(21-9-10-21)23(17-39)15-35-31)26-6-4-8-30(20(26)2)38-34(42)32-14-28(22-11-12-22)24(18-40)16-36-32/h3-8,13-16,21-22,39-40H,9-12,17-18H2,1-2H3,(H,37,41)(H,38,42)
InChIKeyCAXVGPYFICAILT-UHFFFAOYSA-N
XLogP6.00
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 56.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide (CID 153331834) is 4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide is Cc1c(NC(=O)c2cc(C3CC3)c(CO)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CO)cn2)c1C.
What is the InChIKey of 4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is CAXVGPYFICAILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O4/c1-19-25(5-3-7-29(19)37-33(41)31-13-27(21-9-10-21)23(17-39)15-35-31)26-6-4-8-30(20(26)2)38-34(42)32-14-28(22-11-12-22)24(18-40)16-36-32/h3-8,13-16,21-22,39-40H,9-12,17-18H2,1-2H3,(H,37,41)(H,38,42).
What are the key properties of 4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide?
4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 562.67 g/mol, XLogP of 6.00, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[3-[3-[[4-cyclopropyl-5-(hydroxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 153331834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).