(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide

C19H23ClN4O3 — CID 99812235

IUPAC(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccnc(Oc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN4O3/c1-4-12(2)22-18(25)13(3)23-19(26)24-14-9-10-21-17(11-14)27-16-8-6-5-7-15(16)20/h5-13H,4H2,1-3H3,(H,22,25)(H2,21,23,24,26)/t12-,13+/m1/s1
InChIKeySSPIINJDCLZJQG-OLZOCXBDSA-N
MW390.87 g/mol
LogP3.95
Rot. Bonds7

About (2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide

(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide (PubChem CID 99812235) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is (2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide
PubChem CID99812235
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccnc(Oc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN4O3/c1-4-12(2)22-18(25)13(3)23-19(26)24-14-9-10-21-17(11-14)27-16-8-6-5-7-15(16)20/h5-13H,4H2,1-3H3,(H,22,25)(H2,21,23,24,26)/t12-,13+/m1/s1
InChIKeySSPIINJDCLZJQG-OLZOCXBDSA-N
XLogP3.95
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide?
The IUPAC name of (2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide (CID 99812235) is (2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide?
The canonical SMILES for (2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide is CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccnc(Oc2ccccc2Cl)c1.
What is the InChIKey of (2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide?
The InChIKey is SSPIINJDCLZJQG-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-4-12(2)22-18(25)13(3)23-19(26)24-14-9-10-21-17(11-14)27-16-8-6-5-7-15(16)20/h5-13H,4H2,1-3H3,(H,22,25)(H2,21,23,24,26)/t12-,13+/m1/s1.
What are the key properties of (2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide?
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide has a molecular weight of 390.87 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenoxy)-4-pyridinyl]carbamoylamino]propanamide is sourced from PubChem (CID 99812235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).