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

C25H33N5O3 — CID 163227803

IUPAC5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnc(NC(C)(C)CO)c(C(=O)NC2CN(C)C2)c1
InChIInChI=1S/C25H33N5O3/c1-15-5-6-16(23(32)27-18-7-8-18)9-20(15)17-10-21(24(33)28-19-12-30(4)13-19)22(26-11-17)29-25(2,3)14-31/h5-6,9-11,18-19,31H,7-8,12-14H2,1-4H3,(H,26,29)(H,27,32)(H,28,33)
InChIKeyUFJNWIKIEVPNOO-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.18
Rot. Bonds8

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

5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide (PubChem CID 163227803) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide
PubChem CID163227803
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnc(NC(C)(C)CO)c(C(=O)NC2CN(C)C2)c1
InChIInChI=1S/C25H33N5O3/c1-15-5-6-16(23(32)27-18-7-8-18)9-20(15)17-10-21(24(33)28-19-12-30(4)13-19)22(26-11-17)29-25(2,3)14-31/h5-6,9-11,18-19,31H,7-8,12-14H2,1-4H3,(H,26,29)(H,27,32)(H,28,33)
InChIKeyUFJNWIKIEVPNOO-UHFFFAOYSA-N
XLogP2.18
TPSA106.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 163227722
5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 163227753
N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(methylamino)-3-pyridinyl]-4-methylbenzamide
CID 163227607
N-cyclopropyl-3-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-5-(1,2-thiazol-4-yl)-3-pyridinyl]-4-methylbenzamide
CID 163227567
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
CID 69315179
N-cyclopropyl-2-fluoro-5-[6-[[1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl]amino]-5-[1-(trideuteriomethyl)pyrazol-4-yl]-3-pyridinyl]-4-methylbenzamide
CID 163227824
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121
N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
CID 69461402
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
CID 58919712
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125

Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide (CID 163227803) is 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnc(NC(C)(C)CO)c(C(=O)NC2CN(C)C2)c1.
What is the InChIKey of 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide?
The InChIKey is UFJNWIKIEVPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-15-5-6-16(23(32)27-18-7-8-18)9-20(15)17-10-21(24(33)28-19-12-30(4)13-19)22(26-11-17)29-25(2,3)14-31/h5-6,9-11,18-19,31H,7-8,12-14H2,1-4H3,(H,26,29)(H,27,32)(H,28,33).
What are the key properties of 5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide?
5-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(1-methylazetidin-3-yl)pyridine-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 2.18, 8 rotatable bonds, 4 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-(1-methylazetidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 163227803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).