2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid

C13H17N3O3 — CID 113481392

IUPAC2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NCCNC(=O)C2CC2)n1
InChIInChI=1S/C13H17N3O3/c1-8-6-10(13(18)19)7-11(16-8)14-4-5-15-12(17)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFLZYBTABCXBAGH-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.03
Rot. Bonds6

About 2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid

2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid (PubChem CID 113481392) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
PubChem CID113481392
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(NCCNC(=O)C2CC2)n1
InChIInChI=1S/C13H17N3O3/c1-8-6-10(13(18)19)7-11(16-8)14-4-5-15-12(17)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFLZYBTABCXBAGH-UHFFFAOYSA-N
XLogP1.03
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113378613
N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481504
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846
N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropanecarboxamide
CID 102716189
N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499
N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 75424390
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
CID 106278034
2-methyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-4-carboxylic acid
CID 114139075
2-methyl-6-(2-prop-2-enylsulfanylethylamino)pyridine-4-carboxylic acid
CID 106429401
N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclobutanecarboxamide
CID 122308607
N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3206675

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid (CID 113481392) is 2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(NCCNC(=O)C2CC2)n1.
What is the InChIKey of 2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid?
The InChIKey is FLZYBTABCXBAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-6-10(13(18)19)7-11(16-8)14-4-5-15-12(17)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid?
2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 113481392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).