N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide

C11H14N4O — CID 63306625

IUPACN-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
SMILESCc1cccnc1CNCC(=O)NCC#N
InChIInChI=1S/C11H14N4O/c1-9-3-2-5-14-10(9)7-13-8-11(16)15-6-4-12/h2-3,5,13H,6-8H2,1H3,(H,15,16)
InChIKeyPNWKIUSJTZAQKB-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.12
Rot. Bonds5

About N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide

N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide (PubChem CID 63306625) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
PubChem CID63306625
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
SMILESCc1cccnc1CNCC(=O)NCC#N
InChIInChI=1S/C11H14N4O/c1-9-3-2-5-14-10(9)7-13-8-11(16)15-6-4-12/h2-3,5,13H,6-8H2,1H3,(H,15,16)
InChIKeyPNWKIUSJTZAQKB-UHFFFAOYSA-N
XLogP0.12
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.12
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-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306550
N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 28583464
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958341
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427388
N-(2,6-dichlorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306342
1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 78995295
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030
tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
N-(cyanomethyl)-2-(1,2-oxazol-5-ylmethylamino)acetamide
CID 106417912
2,3-dichloro-N-[(3-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 79167174

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide (CID 63306625) is N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide is Cc1cccnc1CNCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide?
The InChIKey is PNWKIUSJTZAQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-9-3-2-5-14-10(9)7-13-8-11(16)15-6-4-12/h2-3,5,13H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide?
N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide has a molecular weight of 218.26 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide is sourced from PubChem (CID 63306625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).