2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide

C21H23N5O3 — CID 156812124

IUPAC2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(N3CCNCC3)nc(OC)n2)c2ccccc2c1
InChIInChI=1S/C21H23N5O3/c1-28-15-11-14-5-3-4-6-16(14)17(12-15)23-20(27)18-13-19(25-21(24-18)29-2)26-9-7-22-8-10-26/h3-6,11-13,22H,7-10H2,1-2H3,(H,23,27)
InChIKeyVPPCKZVFLSXNGK-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.31
Rot. Bonds5

About 2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide

2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide (PubChem CID 156812124) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide
PubChem CID156812124
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(N3CCNCC3)nc(OC)n2)c2ccccc2c1
InChIInChI=1S/C21H23N5O3/c1-28-15-11-14-5-3-4-6-16(14)17(12-15)23-20(27)18-13-19(25-21(24-18)29-2)26-9-7-22-8-10-26/h3-6,11-13,22H,7-10H2,1-2H3,(H,23,27)
InChIKeyVPPCKZVFLSXNGK-UHFFFAOYSA-N
XLogP2.31
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

cyanomethyl 4-[6-[(3-methoxynaphthalen-1-yl)carbamoyl]-2-[(2-methylpyrazol-3-yl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylate
CID 156812125
6-[(3S)-3-(cyanomethyl)piperazin-1-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(3-methoxynaphthalen-1-yl)pyrimidine-4-carboxamide
CID 156812100
6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide
CID 156812140
acetonitrile;N-(3-hydroxynaphthalen-1-yl)-2-[(1-methylpiperidin-3-yl)methylamino]-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 156811973
acetonitrile;N-(3-hydroxynaphthalen-1-yl)-2-[(1Z)-1-(2-methyl-4-methylidenepyrazol-3-ylidene)prop-2-enyl]-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 156812070
benzyl (2S)-2-(cyanomethyl)-4-[6-[(3-methoxynaphthalen-1-yl)carbamoyl]-2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]pyrimidin-4-yl]piperazine-1-carboxylate
CID 156812031
benzyl (2S)-2-(cyanomethyl)-4-[2-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-6-[(3-methoxynaphthalen-1-yl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 156811954
6-[(3S)-3-(1-cyanoethenyl)piperazin-1-yl]-N-(3-hydroxynaphthalen-1-yl)-2-[(1-methylpyrazol-4-yl)methoxy]pyrimidine-4-carboxamide
CID 156812122
benzyl (2S)-2-(cyanomethyl)-4-[6-[(3-methoxynaphthalen-1-yl)carbamoyl]-2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]piperazine-1-carboxylate
CID 156812098
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
N-(2,5-dimethoxyphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573662
2-phenyl-N-[2-(5-phenyl-1,3-thiazol-2-yl)phenyl]-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 58148545

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide (CID 156812124) is 2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide is COc1cc(NC(=O)c2cc(N3CCNCC3)nc(OC)n2)c2ccccc2c1.
What is the InChIKey of 2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide?
The InChIKey is VPPCKZVFLSXNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-28-15-11-14-5-3-4-6-16(14)17(12-15)23-20(27)18-13-19(25-21(24-18)29-2)26-9-7-22-8-10-26/h3-6,11-13,22H,7-10H2,1-2H3,(H,23,27).
What are the key properties of 2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide?
2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 156812124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).