N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide

C22H22N4O2 — CID 60571084

IUPACN-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(c1ccncc1)N(C)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c1-16(17-12-14-23-15-13-17)26(2)21(27)18-8-10-20(11-9-18)25-22(28)24-19-6-4-3-5-7-19/h3-16H,1-2H3,(H2,24,25,28)
InChIKeyFKJAOVDZZREDJA-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.56
Rot. Bonds5

About N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide

N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 60571084) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID60571084
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(c1ccncc1)N(C)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H22N4O2/c1-16(17-12-14-23-15-13-17)26(2)21(27)18-8-10-20(11-9-18)25-22(28)24-19-6-4-3-5-7-19/h3-16H,1-2H3,(H2,24,25,28)
InChIKeyFKJAOVDZZREDJA-UHFFFAOYSA-N
XLogP4.56
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide (CID 60571084) is N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide is CC(c1ccncc1)N(C)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is FKJAOVDZZREDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16(17-12-14-23-15-13-17)26(2)21(27)18-8-10-20(11-9-18)25-22(28)24-19-6-4-3-5-7-19/h3-16H,1-2H3,(H2,24,25,28).
What are the key properties of N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide?
N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(phenylcarbamoylamino)-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 60571084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).