2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide

C30H34N6O3 — CID 90463590

IUPAC2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C30H34N6O3/c1-21-4-5-24(33-29(37)22-6-7-32-26(16-22)30(2,3)20-31)19-25(21)23-17-27(35-8-12-38-13-9-35)34-28(18-23)36-10-14-39-15-11-36/h4-7,16-19H,8-15H2,1-3H3,(H,33,37)
InChIKeyPRPZEFLLWATTOC-UHFFFAOYSA-N
MW526.64 g/mol
LogP4.18
Rot. Bonds6

About 2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 90463590) has the molecular formula C30H34N6O3 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
PubChem CID90463590
Molecular FormulaC30H34N6O3
Molecular Weight526.64 g/mol
Exact Mass526.27
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C30H34N6O3/c1-21-4-5-24(33-29(37)22-6-7-32-26(16-22)30(2,3)20-31)19-25(21)23-17-27(35-8-12-38-13-9-35)34-28(18-23)36-10-14-39-15-11-36/h4-7,16-19H,8-15H2,1-3H3,(H,33,37)
InChIKeyPRPZEFLLWATTOC-UHFFFAOYSA-N
XLogP4.18
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide (CID 90463590) is 2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is PRPZEFLLWATTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O3/c1-21-4-5-24(33-29(37)22-6-7-32-26(16-22)30(2,3)20-31)19-25(21)23-17-27(35-8-12-38-13-9-35)34-28(18-23)36-10-14-39-15-11-36/h4-7,16-19H,8-15H2,1-3H3,(H,33,37).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 526.64 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90463590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).