3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide

C17H19ClN4O2 — CID 4884349

IUPAC3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESNC(=O)NC(CC(=O)NCCc1ccccn1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O2/c18-14-7-2-1-6-13(14)15(22-17(19)24)11-16(23)21-10-8-12-5-3-4-9-20-12/h1-7,9,15H,8,10-11H2,(H,21,23)(H3,19,22,24)
InChIKeyJZNXBVFJTBYYRK-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.19
Rot. Bonds7

About 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide

3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 4884349) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID4884349
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESNC(=O)NC(CC(=O)NCCc1ccccn1)c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O2/c18-14-7-2-1-6-13(14)15(22-17(19)24)11-16(23)21-10-8-12-5-3-4-9-20-12/h1-7,9,15H,8,10-11H2,(H,21,23)(H3,19,22,24)
InChIKeyJZNXBVFJTBYYRK-UHFFFAOYSA-N
XLogP2.19
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide (CID 4884349) is 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide is NC(=O)NC(CC(=O)NCCc1ccccn1)c1ccccc1Cl.
What is the InChIKey of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is JZNXBVFJTBYYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-14-7-2-1-6-13(14)15(22-17(19)24)11-16(23)21-10-8-12-5-3-4-9-20-12/h1-7,9,15H,8,10-11H2,(H,21,23)(H3,19,22,24).
What are the key properties of 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 346.82 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 4884349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).