N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

C24H20N4O3 — CID 53143638

IUPACN,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C24H20N4O3/c1-30-19-7-3-17(4-8-19)23-26-15-21(22(28-23)16-11-13-25-14-12-16)24(29)27-18-5-9-20(31-2)10-6-18/h3-15H,1-2H3,(H,27,29)
InChIKeyPWPZQQAASJQCSX-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.48
Rot. Bonds6

About N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide

N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 53143638) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID53143638
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C24H20N4O3/c1-30-19-7-3-17(4-8-19)23-26-15-21(22(28-23)16-11-13-25-14-12-16)24(29)27-18-5-9-20(31-2)10-6-18/h3-15H,1-2H3,(H,27,29)
InChIKeyPWPZQQAASJQCSX-UHFFFAOYSA-N
XLogP4.48
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143637
N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143495
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143644
N-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143686
N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143497
N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 143426015
2-(4-fluorophenyl)-N-(2-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143659
2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143621
N-(cyclopropylmethyl)-2-(4-methylphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143618
4-hydrazinyl-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 81255713
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-(4-methoxyphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692594

Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide (CID 53143638) is N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)nc2-c2ccncc2)cc1.
What is the InChIKey of N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is PWPZQQAASJQCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-30-19-7-3-17(4-8-19)23-26-15-21(22(28-23)16-11-13-25-14-12-16)24(29)27-18-5-9-20(31-2)10-6-18/h3-15H,1-2H3,(H,27,29).
What are the key properties of N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide?
N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-methoxyphenyl)-4-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53143638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).