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

C29H33N5O3 — CID 134609393

IUPAC2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1
InChIInChI=1S/C29H33N5O3/c1-19-4-5-23(33-28(36)21-6-9-31-26(15-21)29(2,3)18-30)17-24(19)22-14-25(20-7-12-37-13-8-20)34-27(16-22)32-10-11-35/h4-6,9,14-17,20,35H,7-8,10-13H2,1-3H3,(H,32,34)(H,33,36)
InChIKeyUZOCTXYRHFUYRR-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.80
Rot. Bonds8

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

2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 134609393) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID134609393
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1
InChIInChI=1S/C29H33N5O3/c1-19-4-5-23(33-28(36)21-6-9-31-26(15-21)29(2,3)18-30)17-24(19)22-14-25(20-7-12-37-13-8-20)34-27(16-22)32-10-11-35/h4-6,9,14-17,20,35H,7-8,10-13H2,1-3H3,(H,32,34)(H,33,36)
InChIKeyUZOCTXYRHFUYRR-UHFFFAOYSA-N
XLogP4.80
TPSA120.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (CID 134609393) is 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is UZOCTXYRHFUYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-19-4-5-23(33-28(36)21-6-9-31-26(15-21)29(2,3)18-30)17-24(19)22-14-25(20-7-12-37-13-8-20)34-27(16-22)32-10-11-35/h4-6,9,14-17,20,35H,7-8,10-13H2,1-3H3,(H,32,34)(H,33,36).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 4.80, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 134609393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).