2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide

C23H29N5O3 — CID 53258879

IUPAC2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide
SMILESCNc1nccc(-c2cc(NC(=O)CNCC(C)(C)CO)c3cc(OC)ccc3c2)n1
InChIInChI=1S/C23H29N5O3/c1-23(2,14-29)13-25-12-21(30)27-20-10-16(19-7-8-26-22(24-3)28-19)9-15-5-6-17(31-4)11-18(15)20/h5-11,25,29H,12-14H2,1-4H3,(H,27,30)(H,24,26,28)
InChIKeyIMCMMHAANCYOBE-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.89
Rot. Bonds9

About 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide

2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide (PubChem CID 53258879) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide
PubChem CID53258879
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide
SMILESCNc1nccc(-c2cc(NC(=O)CNCC(C)(C)CO)c3cc(OC)ccc3c2)n1
InChIInChI=1S/C23H29N5O3/c1-23(2,14-29)13-25-12-21(30)27-20-10-16(19-7-8-26-22(24-3)28-19)9-15-5-6-17(31-4)11-18(15)20/h5-11,25,29H,12-14H2,1-4H3,(H,27,30)(H,24,26,28)
InChIKeyIMCMMHAANCYOBE-UHFFFAOYSA-N
XLogP2.89
TPSA108.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide 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-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
CID 53257948
2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide
CID 123395128
N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
CID 67493925
2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 67493734
[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid
CID 67493714
2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide
CID 67307532
3-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]pyrrolidine-1-carboxylic acid
CID 123573558
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide
CID 58336404
tert-butyl N-[3-[2-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamate
CID 53257822
N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 58336427
4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine
CID 53258284

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide (CID 53258879) is 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide is CNc1nccc(-c2cc(NC(=O)CNCC(C)(C)CO)c3cc(OC)ccc3c2)n1.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide?
The InChIKey is IMCMMHAANCYOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-23(2,14-29)13-25-12-21(30)27-20-10-16(19-7-8-26-22(24-3)28-19)9-15-5-6-17(31-4)11-18(15)20/h5-11,25,29H,12-14H2,1-4H3,(H,27,30)(H,24,26,28).
What are the key properties of 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide?
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide has a molecular weight of 423.52 g/mol, XLogP of 2.89, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide is sourced from PubChem (CID 53258879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).