N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide

C19H19N3O2 — CID 126828958

IUPACN-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide
SMILESN#Cc1ccc(N(Cc2ccccc2)C(=O)COCC2CC2)nc1
InChIInChI=1S/C19H19N3O2/c20-10-17-8-9-18(21-11-17)22(12-15-4-2-1-3-5-15)19(23)14-24-13-16-6-7-16/h1-5,8-9,11,16H,6-7,12-14H2
InChIKeyAYKGRRLDEGDLHT-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.91
Rot. Bonds7

About N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide

N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide (PubChem CID 126828958) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide
PubChem CID126828958
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide
SMILESN#Cc1ccc(N(Cc2ccccc2)C(=O)COCC2CC2)nc1
InChIInChI=1S/C19H19N3O2/c20-10-17-8-9-18(21-11-17)22(12-15-4-2-1-3-5-15)19(23)14-24-13-16-6-7-16/h1-5,8-9,11,16H,6-7,12-14H2
InChIKeyAYKGRRLDEGDLHT-UHFFFAOYSA-N
XLogP2.91
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
N-(5-cyano-2-pyridinyl)-3-cyclopentyl-N-methylpropanamide
CID 115273575
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
CID 47879783
2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347195
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
CID 46685091
N-benzyl-N-(cyanomethyl)-2-piperidin-4-yloxyacetamide
CID 63875533
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115268063
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
benzyl-(5-methyl-2-pyridinyl)carbamothioic S-acid
CID 88786150
[2-[benzyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 8018452

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide?
The IUPAC name of N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide (CID 126828958) is N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide.
What is the SMILES notation for N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide?
The canonical SMILES for N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide is N#Cc1ccc(N(Cc2ccccc2)C(=O)COCC2CC2)nc1.
What is the InChIKey of N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide?
The InChIKey is AYKGRRLDEGDLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c20-10-17-8-9-18(21-11-17)22(12-15-4-2-1-3-5-15)19(23)14-24-13-16-6-7-16/h1-5,8-9,11,16H,6-7,12-14H2.
What are the key properties of N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide?
N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide is sourced from PubChem (CID 126828958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).