methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate

C10H12N4O3 — CID 20619353

IUPACmethyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c(NC2=NCCN2)c1
InChIInChI=1S/C10H12N4O3/c1-17-9(16)6-4-7(8(15)13-5-6)14-10-11-2-3-12-10/h4-5H,2-3H2,1H3,(H,13,15)(H2,11,12,14)
InChIKeyXLWXZPMZWKXAQX-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.47
Rot. Bonds2

About methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate

methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 20619353) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate
PubChem CID20619353
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Namemethyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c(NC2=NCCN2)c1
InChIInChI=1S/C10H12N4O3/c1-17-9(16)6-4-7(8(15)13-5-6)14-10-11-2-3-12-10/h4-5H,2-3H2,1H3,(H,13,15)(H2,11,12,14)
InChIKeyXLWXZPMZWKXAQX-UHFFFAOYSA-N
XLogP-0.47
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylbenzoate
CID 12769659
methyl 5-methyl-1H-pyrrole-3-carboxylate
CID 3831101
methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate
CID 46317623
5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-ethyl-2-methoxybenzamide
CID 19896989
N-(2-fluoro-5-methoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400318
methyl 5-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133092802
ethane;methyl 5-pyrimidin-2-yl-1H-pyrrole-3-carboxylate
CID 169144514
3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid;dihydrate
CID 139056648
4-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid
CID 20619265
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 22245999
methyl 6-oxo-5-(2,3,5-trichlorophenyl)-1H-pyridine-3-carboxylate
CID 133092680
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44531712

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate (CID 20619353) is methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(=O)c(NC2=NCCN2)c1.
What is the InChIKey of methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is XLWXZPMZWKXAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-17-9(16)6-4-7(8(15)13-5-6)14-10-11-2-3-12-10/h4-5H,2-3H2,1H3,(H,13,15)(H2,11,12,14).
What are the key properties of methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 236.23 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 20619353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).