2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid

C14H21N3O3 — CID 62818215

IUPAC2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid
SMILESCCNC(=O)c1cc(N(CC)C(C)(C)C(=O)O)ccn1
InChIInChI=1S/C14H21N3O3/c1-5-15-12(18)11-9-10(7-8-16-11)17(6-2)14(3,4)13(19)20/h7-9H,5-6H2,1-4H3,(H,15,18)(H,19,20)
InChIKeySOLVNVQSAFYYNV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.52
Rot. Bonds6

About 2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid (PubChem CID 62818215) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid
PubChem CID62818215
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid
SMILESCCNC(=O)c1cc(N(CC)C(C)(C)C(=O)O)ccn1
InChIInChI=1S/C14H21N3O3/c1-5-15-12(18)11-9-10(7-8-16-11)17(6-2)14(3,4)13(19)20/h7-9H,5-6H2,1-4H3,(H,15,18)(H,19,20)
InChIKeySOLVNVQSAFYYNV-UHFFFAOYSA-N
XLogP1.52
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(2-methoxycarbonyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 66287585
methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62006034
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid
CID 60839856
4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide
CID 60877624
4-[3-aminopropyl(propan-2-yl)amino]-N-ethylpyridine-2-carboxamide
CID 43517813
4-[(3-amino-3-iminopropyl)-ethylamino]-N-ethylpyridine-2-carboxamide
CID 54993134
N-tert-butyl-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109216854
4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501
4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid
CID 43517798
4-[(2-amino-2-oxoethyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517858
2-[[2-(ethylcarbamoyl)-4-pyridinyl]sulfanyl]butanoic acid
CID 105354798

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid (CID 62818215) is 2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid is CCNC(=O)c1cc(N(CC)C(C)(C)C(=O)O)ccn1.
What is the InChIKey of 2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid?
The InChIKey is SOLVNVQSAFYYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-15-12(18)11-9-10(7-8-16-11)17(6-2)14(3,4)13(19)20/h7-9H,5-6H2,1-4H3,(H,15,18)(H,19,20).
What are the key properties of 2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62818215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).