N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C21H23N5O3 — CID 109329883

IUPACN-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(C)nc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C21H23N5O3/c1-15-12-19(26-21(25-15)24-14-16-4-3-9-22-13-16)20(27)23-10-11-29-18-7-5-17(28-2)6-8-18/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyHFOZATIGEIQVGH-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.61
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109329883) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109329883
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(C)nc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C21H23N5O3/c1-15-12-19(26-21(25-15)24-14-16-4-3-9-22-13-16)20(27)23-10-11-29-18-7-5-17(28-2)6-8-18/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyHFOZATIGEIQVGH-UHFFFAOYSA-N
XLogP2.61
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-pentyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329888
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126471732
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
N-tert-butyl-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329884
2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330057
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109324862
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329621
6-methyl-N-(2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329896
N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329925
N-(3-bromophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329959
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 109329883) is N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is COc1ccc(OCCNC(=O)c2cc(C)nc(NCc3cccnc3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is HFOZATIGEIQVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-15-12-19(26-21(25-15)24-14-16-4-3-9-22-13-16)20(27)23-10-11-29-18-7-5-17(28-2)6-8-18/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109329883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).