4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid

C15H23N3O3 — CID 60839856

IUPAC4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid
SMILESCCNC(=O)c1cc(N(CCCC(=O)O)C(C)C)ccn1
InChIInChI=1S/C15H23N3O3/c1-4-16-15(21)13-10-12(7-8-17-13)18(11(2)3)9-5-6-14(19)20/h7-8,10-11H,4-6,9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyCENSGMHVFJPEQC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.91
Rot. Bonds8

About 4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid

4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid (PubChem CID 60839856) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid
PubChem CID60839856
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid
SMILESCCNC(=O)c1cc(N(CCCC(=O)O)C(C)C)ccn1
InChIInChI=1S/C15H23N3O3/c1-4-16-15(21)13-10-12(7-8-17-13)18(11(2)3)9-5-6-14(19)20/h7-8,10-11H,4-6,9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyCENSGMHVFJPEQC-UHFFFAOYSA-N
XLogP1.91
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid 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

4-[3-aminopropyl(propan-2-yl)amino]-N-ethylpyridine-2-carboxamide
CID 43517813
4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61147334
4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 43517704
2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid
CID 60828541
4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 61147660
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid
CID 62818215
4-[(3-amino-3-iminopropyl)-propan-2-ylamino]-N-methylpyridine-2-carboxamide
CID 54996820
4-[2-[di(propan-2-yl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 43517863
methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62006034
4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide
CID 54993134
4-[3-aminopropyl(cyclopentyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517815

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid (CID 60839856) is 4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid is CCNC(=O)c1cc(N(CCCC(=O)O)C(C)C)ccn1.
What is the InChIKey of 4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid?
The InChIKey is CENSGMHVFJPEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-16-15(21)13-10-12(7-8-17-13)18(11(2)3)9-5-6-14(19)20/h7-8,10-11H,4-6,9H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid?
4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60839856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).