N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide

C24H29N7O2 — CID 122350226

IUPACN-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3cc(Nc4cc(C)ccn4)nc(C)n3)CC2)cc1
InChIInChI=1S/C24H29N7O2/c1-4-33-20-7-5-19(6-8-20)28-24(32)31-13-11-30(12-14-31)23-16-22(26-18(3)27-23)29-21-15-17(2)9-10-25-21/h5-10,15-16H,4,11-14H2,1-3H3,(H,28,32)(H,25,26,27,29)
InChIKeyOFTWOSCITYJHMA-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.98
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide

N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 122350226) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID122350226
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC NameN-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCN(c3cc(Nc4cc(C)ccn4)nc(C)n3)CC2)cc1
InChIInChI=1S/C24H29N7O2/c1-4-33-20-7-5-19(6-8-20)28-24(32)31-13-11-30(12-14-31)23-16-22(26-18(3)27-23)29-21-15-17(2)9-10-25-21/h5-10,15-16H,4,11-14H2,1-3H3,(H,28,32)(H,25,26,27,29)
InChIKeyOFTWOSCITYJHMA-UHFFFAOYSA-N
XLogP3.98
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-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

N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 71800271
N-[3-(difluoromethoxy)phenyl]-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122350284
1-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122350326
4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 122350283
N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide
CID 42065423
cyclopropyl-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350203
4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122349864
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 50944540
N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122349382
(3-methoxy-1-methylpyrazol-4-yl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350346
(4-iodophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350540
(4-chlorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350169

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide (CID 122350226) is N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide is CCOc1ccc(NC(=O)N2CCN(c3cc(Nc4cc(C)ccn4)nc(C)n3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is OFTWOSCITYJHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-4-33-20-7-5-19(6-8-20)28-24(32)31-13-11-30(12-14-31)23-16-22(26-18(3)27-23)29-21-15-17(2)9-10-25-21/h5-10,15-16H,4,11-14H2,1-3H3,(H,28,32)(H,25,26,27,29).
What are the key properties of N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide?
N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122350226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).