N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide

C10H12N4O — CID 28583464

IUPACN-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESN#CCNC(=O)CNCc1ccccn1
InChIInChI=1S/C10H12N4O/c11-4-6-14-10(15)8-12-7-9-3-1-2-5-13-9/h1-3,5,12H,6-8H2,(H,14,15)
InChIKeyIJLVZMWVQHFKDL-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.19
Rot. Bonds5

About N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide

N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide (PubChem CID 28583464) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide
PubChem CID28583464
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC NameN-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESN#CCNC(=O)CNCc1ccccn1
InChIInChI=1S/C10H12N4O/c11-4-6-14-10(15)8-12-7-9-3-1-2-5-13-9/h1-3,5,12H,6-8H2,(H,14,15)
InChIKeyIJLVZMWVQHFKDL-UHFFFAOYSA-N
XLogP-0.19
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 60647529
N-(3-methylbutyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 60671493
N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306625
N-(2-phenylethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999079
2-cyano-N-(pyridin-2-ylmethyl)acetamide
CID 2799775
N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427388
2-[(2-bromophenyl)methylamino]-N-(cyanomethyl)acetamide
CID 61401918
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 106417912
2-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 108999224
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125
(Z)-3-chloro-2-methyl-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 106437387

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide (CID 28583464) is N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide is N#CCNC(=O)CNCc1ccccn1.
What is the InChIKey of N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide?
The InChIKey is IJLVZMWVQHFKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-4-6-14-10(15)8-12-7-9-3-1-2-5-13-9/h1-3,5,12H,6-8H2,(H,14,15).
What are the key properties of N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide?
N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide has a molecular weight of 204.23 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide is sourced from PubChem (CID 28583464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).