N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide

C26H32N4O2 — CID 58336404

IUPACN-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESCCc1nccc(-c2cc(NC(=O)CCC3CCN(C)CC3)c3cc(OC)ccc3c2)n1
InChIInChI=1S/C26H32N4O2/c1-4-25-27-12-9-23(28-25)20-15-19-6-7-21(32-3)17-22(19)24(16-20)29-26(31)8-5-18-10-13-30(2)14-11-18/h6-7,9,12,15-18H,4-5,8,10-11,13-14H2,1-3H3,(H,29,31)
InChIKeyADRZLEWYFSHAEI-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.93
Rot. Bonds7

About N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide

N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 58336404) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID58336404
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESCCc1nccc(-c2cc(NC(=O)CCC3CCN(C)CC3)c3cc(OC)ccc3c2)n1
InChIInChI=1S/C26H32N4O2/c1-4-25-27-12-9-23(28-25)20-15-19-6-7-21(32-3)17-22(19)24(16-20)29-26(31)8-5-18-10-13-30(2)14-11-18/h6-7,9,12,15-18H,4-5,8,10-11,13-14H2,1-3H3,(H,29,31)
InChIKeyADRZLEWYFSHAEI-UHFFFAOYSA-N
XLogP4.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 58336427
methyl 2-[4-[[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]amino]piperidin-1-yl]-6-methylpyrimidine-4-carboxylate
CID 58336435
2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide
CID 123395128
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide
CID 53258879
N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969570
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
tert-butyl N-[3-[2-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamate
CID 53257822
3-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]pyrrolidine-1-carboxylic acid
CID 123573558
[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid
CID 67493714
4-(6-methoxy-4-piperidin-1-ylnaphthalen-2-yl)-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrimidine
CID 58336380
N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide
CID 72847750
2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 67493734

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide (CID 58336404) is N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide is CCc1nccc(-c2cc(NC(=O)CCC3CCN(C)CC3)c3cc(OC)ccc3c2)n1.
What is the InChIKey of N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is ADRZLEWYFSHAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-25-27-12-9-23(28-25)20-15-19-6-7-21(32-3)17-22(19)24(16-20)29-26(31)8-5-18-10-13-30(2)14-11-18/h6-7,9,12,15-18H,4-5,8,10-11,13-14H2,1-3H3,(H,29,31).
What are the key properties of N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide?
N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 432.57 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 58336404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).