4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide

C20H26N6O3 — CID 10023782

IUPAC4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1
InChIInChI=1S/C20H26N6O3/c1-3-22-20(28)26-10-8-13(9-11-26)24-19-23-12-15(18(21)25-19)17(27)14-6-4-5-7-16(14)29-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,28)(H3,21,23,24,25)
InChIKeyGIFWLUDQYFWBMB-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.90
Rot. Bonds6

About 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide

4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide (PubChem CID 10023782) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide
PubChem CID10023782
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1
InChIInChI=1S/C20H26N6O3/c1-3-22-20(28)26-10-8-13(9-11-26)24-19-23-12-15(18(21)25-19)17(27)14-6-4-5-7-16(14)29-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,28)(H3,21,23,24,25)
InChIKeyGIFWLUDQYFWBMB-UHFFFAOYSA-N
XLogP1.90
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide with MolForge

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Related Compounds

(4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone
CID 6918852
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3,4-trifluoro-6-methoxyphenyl)methanone
CID 10479319
2-cyano-4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 16108888
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 16108891
2-cyano-4-(cyclohexylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 16108901
4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic Acid Ethyl Ester
CID 9843864
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](5-fluoro-2-methoxyphenyl)methanone
CID 9979700
1-[4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]-piperidin-1-yl]ethanone
CID 9999155
1-[4-({4-Amino-5-[(2-methoxyphenyl)carbonyl]pyrimidin-2-yl}amino)piperidin-1-yl]butan-1-one
CID 10069391
[4-Amino-2-(1-ethanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10251513
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 10319097
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](3,4,5-trifluoro-2-methoxyphenyl)methanone
CID 10434333

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide (CID 10023782) is 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(Nc2ncc(C(=O)c3ccccc3OC)c(N)n2)CC1.
What is the InChIKey of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide?
The InChIKey is GIFWLUDQYFWBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-3-22-20(28)26-10-8-13(9-11-26)24-19-23-12-15(18(21)25-19)17(27)14-6-4-5-7-16(14)29-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,28)(H3,21,23,24,25).
What are the key properties of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide?
4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 10023782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).