2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide

C19H25N7O3 — CID 69065124

IUPAC2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide
SMILESCOc1cc(Nc2ncc(C(N)=O)cn2)ccc1NC(=O)CN1CCN(C)CC1
InChIInChI=1S/C19H25N7O3/c1-25-5-7-26(8-6-25)12-17(27)24-15-4-3-14(9-16(15)29-2)23-19-21-10-13(11-22-19)18(20)28/h3-4,9-11H,5-8,12H2,1-2H3,(H2,20,28)(H,24,27)(H,21,22,23)
InChIKeyODMFHHYNZFPUSE-UHFFFAOYSA-N
MW399.46 g/mol
LogP0.51
Rot. Bonds7

About 2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide

2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide (PubChem CID 69065124) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide
PubChem CID69065124
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC Name2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide
SMILESCOc1cc(Nc2ncc(C(N)=O)cn2)ccc1NC(=O)CN1CCN(C)CC1
InChIInChI=1S/C19H25N7O3/c1-25-5-7-26(8-6-25)12-17(27)24-15-4-3-14(9-16(15)29-2)23-19-21-10-13(11-22-19)18(20)28/h3-4,9-11H,5-8,12H2,1-2H3,(H2,20,28)(H,24,27)(H,21,22,23)
InChIKeyODMFHHYNZFPUSE-UHFFFAOYSA-N
XLogP0.51
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-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-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 59142757
3-[[5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-2-pyridinyl]methyl]benzamide
CID 71706871
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
1-[4-[2-(3,4-dimethoxyanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254702
[2-(3,4-dimethoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250030
N-(4-amino-2-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81098626
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 131895084
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104848882
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide (CID 69065124) is 2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide is COc1cc(Nc2ncc(C(N)=O)cn2)ccc1NC(=O)CN1CCN(C)CC1.
What is the InChIKey of 2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide?
The InChIKey is ODMFHHYNZFPUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-25-5-7-26(8-6-25)12-17(27)24-15-4-3-14(9-16(15)29-2)23-19-21-10-13(11-22-19)18(20)28/h3-4,9-11H,5-8,12H2,1-2H3,(H2,20,28)(H,24,27)(H,21,22,23).
What are the key properties of 2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide?
2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 69065124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).