6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide

C25H32N4O3 — CID 156812140

IUPAC6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide
SMILESCCCCCOc1nc(C(=O)Nc2cc(OC)cc3ccccc23)cc(N(CC)CC)n1
InChIInChI=1S/C25H32N4O3/c1-5-8-11-14-32-25-27-22(17-23(28-25)29(6-2)7-3)24(30)26-21-16-19(31-4)15-18-12-9-10-13-20(18)21/h9-10,12-13,15-17H,5-8,11,14H2,1-4H3,(H,26,30)
InChIKeyMSYUKRKNFIOCEE-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.31
Rot. Bonds11

About 6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide

6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide (PubChem CID 156812140) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide
PubChem CID156812140
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide
SMILESCCCCCOc1nc(C(=O)Nc2cc(OC)cc3ccccc23)cc(N(CC)CC)n1
InChIInChI=1S/C25H32N4O3/c1-5-8-11-14-32-25-27-22(17-23(28-25)29(6-2)7-3)24(30)26-21-16-19(31-4)15-18-12-9-10-13-20(18)21/h9-10,12-13,15-17H,5-8,11,14H2,1-4H3,(H,26,30)
InChIKeyMSYUKRKNFIOCEE-UHFFFAOYSA-N
XLogP5.31
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(3-methoxynaphthalen-1-yl)-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 156812124
6-[3-cyanopropyl(ethyl)amino]-N-(3-hydroxynaphthalen-1-yl)-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine-4-carboxamide
CID 156811969
6-(diethylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109373337
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370431
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109353293
N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373384
2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306756
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
CID 18848417
6-(dipropylamino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847508
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide
CID 18848493

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide?
The IUPAC name of 6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide (CID 156812140) is 6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide is CCCCCOc1nc(C(=O)Nc2cc(OC)cc3ccccc23)cc(N(CC)CC)n1.
What is the InChIKey of 6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide?
The InChIKey is MSYUKRKNFIOCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-5-8-11-14-32-25-27-22(17-23(28-25)29(6-2)7-3)24(30)26-21-16-19(31-4)15-18-12-9-10-13-20(18)21/h9-10,12-13,15-17H,5-8,11,14H2,1-4H3,(H,26,30).
What are the key properties of 6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide?
6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-(3-methoxynaphthalen-1-yl)-2-pentoxypyrimidine-4-carboxamide is sourced from PubChem (CID 156812140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).