5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide

C24H33N5O3 — CID 163227753

IUPAC5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
SMILESCNCCNC(=O)c1cc(-c2cc(C(=O)NC3CC3)ccc2C)cnc1NC(C)(C)CO
InChIInChI=1S/C24H33N5O3/c1-15-5-6-16(22(31)28-18-7-8-18)11-19(15)17-12-20(23(32)26-10-9-25-4)21(27-13-17)29-24(2,3)14-30/h5-6,11-13,18,25,30H,7-10,14H2,1-4H3,(H,26,32)(H,27,29)(H,28,31)
InChIKeyABSMGPZYJSLEQE-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.08
Rot. Bonds10

About 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide

5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide (PubChem CID 163227753) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
PubChem CID163227753
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
SMILESCNCCNC(=O)c1cc(-c2cc(C(=O)NC3CC3)ccc2C)cnc1NC(C)(C)CO
InChIInChI=1S/C24H33N5O3/c1-15-5-6-16(22(31)28-18-7-8-18)11-19(15)17-12-20(23(32)26-10-9-25-4)21(27-13-17)29-24(2,3)14-30/h5-6,11-13,18,25,30H,7-10,14H2,1-4H3,(H,26,32)(H,27,29)(H,28,31)
InChIKeyABSMGPZYJSLEQE-UHFFFAOYSA-N
XLogP2.08
TPSA115.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide (CID 163227753) is 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide is CNCCNC(=O)c1cc(-c2cc(C(=O)NC3CC3)ccc2C)cnc1NC(C)(C)CO.
What is the InChIKey of 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is ABSMGPZYJSLEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-15-5-6-16(22(31)28-18-7-8-18)11-19(15)17-12-20(23(32)26-10-9-25-4)21(27-13-17)29-24(2,3)14-30/h5-6,11-13,18,25,30H,7-10,14H2,1-4H3,(H,26,32)(H,27,29)(H,28,31).
What are the key properties of 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide?
5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.08, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 163227753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).