N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide

C25H24N4O2 — CID 10884139

IUPACN-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide
SMILESCc1cncc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
InChIInChI=1S/C25H24N4O2/c1-18-14-19(17-27-16-18)15-22(24(30)28-13-12-26)29-25(31)23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,14,16-17,22-23H,13,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyVXTNGEVCOQBVKV-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.89
Rot. Bonds8

About N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide

N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide (PubChem CID 10884139) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide
PubChem CID10884139
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide
SMILESCc1cncc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1
InChIInChI=1S/C25H24N4O2/c1-18-14-19(17-27-16-18)15-22(24(30)28-13-12-26)29-25(31)23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,14,16-17,22-23H,13,15H2,1H3,(H,28,30)(H,29,31)
InChIKeyVXTNGEVCOQBVKV-UHFFFAOYSA-N
XLogP2.89
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide?
The IUPAC name of N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide (CID 10884139) is N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide?
The canonical SMILES for N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide is Cc1cncc(CC(NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1.
What is the InChIKey of N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide?
The InChIKey is VXTNGEVCOQBVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18-14-19(17-27-16-18)15-22(24(30)28-13-12-26)29-25(31)23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,14,16-17,22-23H,13,15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide?
N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide has a molecular weight of 412.49 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-(5-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 10884139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).