2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide

C16H24ClN5O3 — CID 166389909

IUPAC2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide
SMILESCCC(NC(N)=O)C(=O)NC(C)CNC(=O)CCc1ccc(Cl)nc1
InChIInChI=1S/C16H24ClN5O3/c1-3-12(22-16(18)25)15(24)21-10(2)8-20-14(23)7-5-11-4-6-13(17)19-9-11/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,20,23)(H,21,24)(H3,18,22,25)
InChIKeyJMPWWJNKFFIRTR-UHFFFAOYSA-N
MW369.85 g/mol
LogP0.74
Rot. Bonds9

About 2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide

2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide (PubChem CID 166389909) has the molecular formula C16H24ClN5O3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide
PubChem CID166389909
Molecular FormulaC16H24ClN5O3
Molecular Weight369.85 g/mol
Exact Mass369.16
IUPAC Name2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide
SMILESCCC(NC(N)=O)C(=O)NC(C)CNC(=O)CCc1ccc(Cl)nc1
InChIInChI=1S/C16H24ClN5O3/c1-3-12(22-16(18)25)15(24)21-10(2)8-20-14(23)7-5-11-4-6-13(17)19-9-11/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,20,23)(H,21,24)(H3,18,22,25)
InChIKeyJMPWWJNKFFIRTR-UHFFFAOYSA-N
XLogP0.74
TPSA126.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-3-methylbutanamide
CID 77144550
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
5-[4-(6-chloro-3-pyridinyl)butylamino]-5-oxopentanoic acid
CID 123511597
N-(2-aminobutyl)-3-(4-methylphenyl)propanamide
CID 63733649
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
N-[(6-chloro-3-pyridinyl)methyl]-2-methylbutanethioamide
CID 90853819
(6-chloro-3-pyridinyl)methyl 3-(4-propan-2-ylphenyl)propanoate
CID 60562428
N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
CID 110833167
3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652975
2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 83067082
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide?
The IUPAC name of 2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide (CID 166389909) is 2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide is CCC(NC(N)=O)C(=O)NC(C)CNC(=O)CCc1ccc(Cl)nc1.
What is the InChIKey of 2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide?
The InChIKey is JMPWWJNKFFIRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5O3/c1-3-12(22-16(18)25)15(24)21-10(2)8-20-14(23)7-5-11-4-6-13(17)19-9-11/h4,6,9-10,12H,3,5,7-8H2,1-2H3,(H,20,23)(H,21,24)(H3,18,22,25).
What are the key properties of 2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide?
2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide has a molecular weight of 369.85 g/mol, XLogP of 0.74, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide is sourced from PubChem (CID 166389909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).