N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide

C24H25N5O5 — CID 118716808

IUPACN-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)C3CCCCN3)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
InChIKeyQYAZNTGNUDRPNF-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.07
Rot. Bonds6

About N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide

N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide (PubChem CID 118716808) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide
PubChem CID118716808
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC NameN-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)C3CCCCN3)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
InChIKeyQYAZNTGNUDRPNF-UHFFFAOYSA-N
XLogP2.07
TPSA145.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide (CID 118716808) is N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide is COc1cc(C(=O)Nc2ccc(NC(=O)C3CCCCN3)cc2)cc(-c2c[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide?
The InChIKey is QYAZNTGNUDRPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33).
What are the key properties of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide?
N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 2.07, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 118716808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).