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

C24H26N6O3 — CID 53233468

IUPAC4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1N
InChIInChI=1S/C24H26N6O3/c1-33-20-10-6-5-9-18(20)21(31)19-15-26-23(29-22(19)25)27-17-11-13-30(14-12-17)24(32)28-16-7-3-2-4-8-16/h2-10,15,17H,11-14H2,1H3,(H,28,32)(H3,25,26,27,29)
InChIKeyXBQHFXCPZMGKKQ-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.41
Rot. Bonds6

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

4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 53233468) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID53233468
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1N
InChIInChI=1S/C24H26N6O3/c1-33-20-10-6-5-9-18(20)21(31)19-15-26-23(29-22(19)25)27-17-11-13-30(14-12-17)24(32)28-16-7-3-2-4-8-16/h2-10,15,17H,11-14H2,1H3,(H,28,32)(H3,25,26,27,29)
InChIKeyXBQHFXCPZMGKKQ-UHFFFAOYSA-N
XLogP3.41
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide (CID 53233468) is 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide is COc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1N.
What is the InChIKey of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is XBQHFXCPZMGKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-33-20-10-6-5-9-18(20)21(31)19-15-26-23(29-22(19)25)27-17-11-13-30(14-12-17)24(32)28-16-7-3-2-4-8-16/h2-10,15,17H,11-14H2,1H3,(H,28,32)(H3,25,26,27,29).
What are the key properties of 4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.41, 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-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 53233468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).