N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide

C14H14N4O — CID 81427388

IUPACN-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide
SMILESN#CCNC(=O)CNCc1cccc2cccnc12
InChIInChI=1S/C14H14N4O/c15-6-8-17-13(19)10-16-9-12-4-1-3-11-5-2-7-18-14(11)12/h1-5,7,16H,8-10H2,(H,17,19)
InChIKeyCJPRTCBDAYVPER-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.96
Rot. Bonds5

About N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide

N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide (PubChem CID 81427388) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide
PubChem CID81427388
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide
SMILESN#CCNC(=O)CNCc1cccc2cccnc12
InChIInChI=1S/C14H14N4O/c15-6-8-17-13(19)10-16-9-12-4-1-3-11-5-2-7-18-14(11)12/h1-5,7,16H,8-10H2,(H,17,19)
InChIKeyCJPRTCBDAYVPER-UHFFFAOYSA-N
XLogP0.96
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.96
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-(2-cyanoethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 81427738
N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-(cyanomethyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306625
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
2-[(2-bromophenyl)methylamino]-N-(cyanomethyl)acetamide
CID 61401918
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide (CID 81427388) is N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide is N#CCNC(=O)CNCc1cccc2cccnc12.
What is the InChIKey of N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide?
The InChIKey is CJPRTCBDAYVPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-6-8-17-13(19)10-16-9-12-4-1-3-11-5-2-7-18-14(11)12/h1-5,7,16H,8-10H2,(H,17,19).
What are the key properties of N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide?
N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(quinolin-8-ylmethylamino)acetamide is sourced from PubChem (CID 81427388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).