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

C25H28N6O4 — CID 56659523

IUPAC4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Nc3ncc(C(=O)c4ccccc4OC)c(N)n3)CC2)cc1
InChIInChI=1S/C25H28N6O4/c1-34-18-9-7-16(8-10-18)29-25(33)31-13-11-17(12-14-31)28-24-27-15-20(23(26)30-24)22(32)19-5-3-4-6-21(19)35-2/h3-10,15,17H,11-14H2,1-2H3,(H,29,33)(H3,26,27,28,30)
InChIKeyIVIJTKCNDMADRP-UHFFFAOYSA-N
MW476.54 g/mol
LogP3.42
Rot. Bonds7

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

4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 56659523) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID56659523
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC Name4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(Nc3ncc(C(=O)c4ccccc4OC)c(N)n3)CC2)cc1
InChIInChI=1S/C25H28N6O4/c1-34-18-9-7-16(8-10-18)29-25(33)31-13-11-17(12-14-31)28-24-27-15-20(23(26)30-24)22(32)19-5-3-4-6-21(19)35-2/h3-10,15,17H,11-14H2,1-2H3,(H,29,33)(H3,26,27,28,30)
InChIKeyIVIJTKCNDMADRP-UHFFFAOYSA-N
XLogP3.42
TPSA131.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 56659523) is 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(Nc3ncc(C(=O)c4ccccc4OC)c(N)n3)CC2)cc1.
What is the InChIKey of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is IVIJTKCNDMADRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-34-18-9-7-16(8-10-18)29-25(33)31-13-11-17(12-14-31)28-24-27-15-20(23(26)30-24)22(32)19-5-3-4-6-21(19)35-2/h3-10,15,17H,11-14H2,1-2H3,(H,29,33)(H3,26,27,28,30).
What are the key properties of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 56659523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).