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

C20H23N5O3 — CID 53257948

IUPACN-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
SMILESCNc1nccc(-c2cc(NCC(=O)NCCO)c3cc(OC)ccc3c2)n1
InChIInChI=1S/C20H23N5O3/c1-21-20-23-6-5-17(25-20)14-9-13-3-4-15(28-2)11-16(13)18(10-14)24-12-19(27)22-7-8-26/h3-6,9-11,24,26H,7-8,12H2,1-2H3,(H,22,27)(H,21,23,25)
InChIKeyWKDAXQVHHKTCNP-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.87
Rot. Bonds8

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

N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide (PubChem CID 53257948) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
PubChem CID53257948
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
SMILESCNc1nccc(-c2cc(NCC(=O)NCCO)c3cc(OC)ccc3c2)n1
InChIInChI=1S/C20H23N5O3/c1-21-20-23-6-5-17(25-20)14-9-13-3-4-15(28-2)11-16(13)18(10-14)24-12-19(27)22-7-8-26/h3-6,9-11,24,26H,7-8,12H2,1-2H3,(H,22,27)(H,21,23,25)
InChIKeyWKDAXQVHHKTCNP-UHFFFAOYSA-N
XLogP1.87
TPSA108.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide
CID 53258879
2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide
CID 123395128
3-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]pyrrolidine-1-carboxylic acid
CID 123573558
2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide
CID 67307532
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid
CID 67493714
2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
CID 106537629
4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine
CID 53258284
N-tert-butyl-2-[(7-methoxyisoquinolin-1-yl)amino]acetamide
CID 106539212
tert-butyl N-[3-[2-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamate
CID 53257822

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide (CID 53257948) is N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide is CNc1nccc(-c2cc(NCC(=O)NCCO)c3cc(OC)ccc3c2)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide?
The InChIKey is WKDAXQVHHKTCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-21-20-23-6-5-17(25-20)14-9-13-3-4-15(28-2)11-16(13)18(10-14)24-12-19(27)22-7-8-26/h3-6,9-11,24,26H,7-8,12H2,1-2H3,(H,22,27)(H,21,23,25).
What are the key properties of N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide?
N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide has a molecular weight of 381.44 g/mol, XLogP of 1.87, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide is sourced from PubChem (CID 53257948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).