N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide

C20H22N6O2 — CID 122324344

IUPACN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide
SMILESCCNc1cc(Nc2ccc(NC(=O)c3ccc(OC)nc3)cc2)nc(C)n1
InChIInChI=1S/C20H22N6O2/c1-4-21-17-11-18(24-13(2)23-17)25-15-6-8-16(9-7-15)26-20(27)14-5-10-19(28-3)22-12-14/h5-12H,4H2,1-3H3,(H,26,27)(H2,21,23,24,25)
InChIKeyAGWGKLSCJHHODY-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.62
Rot. Bonds7

About N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide

N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide (PubChem CID 122324344) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide
PubChem CID122324344
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide
SMILESCCNc1cc(Nc2ccc(NC(=O)c3ccc(OC)nc3)cc2)nc(C)n1
InChIInChI=1S/C20H22N6O2/c1-4-21-17-11-18(24-13(2)23-17)25-15-6-8-16(9-7-15)26-20(27)14-5-10-19(28-3)22-12-14/h5-12H,4H2,1-3H3,(H,26,27)(H2,21,23,24,25)
InChIKeyAGWGKLSCJHHODY-UHFFFAOYSA-N
XLogP3.62
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-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

4-bromo-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122324436
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 122324032
4-(ethylamino)-N-(6-methoxy-3-pyridinyl)-3-methylbenzamide
CID 63210411
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide
CID 122324029
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 122324247
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122324238
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide
CID 30703297
N-[4-(2-hydroxyethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 61221260
2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122317288
6-methoxy-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]pyridine-3-carboxamide
CID 122287660
6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 134010368

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide (CID 122324344) is N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide is CCNc1cc(Nc2ccc(NC(=O)c3ccc(OC)nc3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is AGWGKLSCJHHODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-4-21-17-11-18(24-13(2)23-17)25-15-6-8-16(9-7-15)26-20(27)14-5-10-19(28-3)22-12-14/h5-12H,4H2,1-3H3,(H,26,27)(H2,21,23,24,25).
What are the key properties of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide?
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 122324344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).