N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide

C19H18N4O3 — CID 99161117

IUPACN-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESN#CCCN(Cc1cccnc1)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C19H18N4O3/c20-9-4-11-22(14-15-5-3-10-21-13-15)18(24)8-12-23-16-6-1-2-7-17(16)26-19(23)25/h1-3,5-7,10,13H,4,8,11-12,14H2
InChIKeyPTWDPULQWVTHQQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.32
Rot. Bonds7

About N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide

N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 99161117) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID99161117
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESN#CCCN(Cc1cccnc1)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C19H18N4O3/c20-9-4-11-22(14-15-5-3-10-21-13-15)18(24)8-12-23-16-6-1-2-7-17(16)26-19(23)25/h1-3,5-7,10,13H,4,8,11-12,14H2
InChIKeyPTWDPULQWVTHQQ-UHFFFAOYSA-N
XLogP2.32
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-3-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
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N-(2-cyanoethyl)-3-phenothiazin-10-yl-N-(pyridin-3-ylmethyl)propanamide
CID 134013361
3-(4-chlorophenyl)sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)propanamide
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2-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 60662590
N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 78803583
3-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
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2-(1-aminocyclobutyl)-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 79852125
N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 60609850
2-hydroxyethyl N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)carbamate
CID 79346037
4-amino-N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)butanamide
CID 103154249
N-[4-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-4-oxobutyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 99161117) is N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide is N#CCCN(Cc1cccnc1)C(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is PTWDPULQWVTHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c20-9-4-11-22(14-15-5-3-10-21-13-15)18(24)8-12-23-16-6-1-2-7-17(16)26-19(23)25/h1-3,5-7,10,13H,4,8,11-12,14H2.
What are the key properties of N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide?
N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 350.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 99161117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).