methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate

C15H16N4O3 — CID 53145285

IUPACmethyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C15H16N4O3/c1-22-14(20)10-2-4-11(5-3-10)18-15(21)19-7-6-12-13(8-19)17-9-16-12/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,21)
InChIKeyRQICTLRLCKARLK-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.79
Rot. Bonds2

About methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate

methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate (PubChem CID 53145285) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate
PubChem CID53145285
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Namemethyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3C2)cc1
InChIInChI=1S/C15H16N4O3/c1-22-14(20)10-2-4-11(5-3-10)18-15(21)19-7-6-12-13(8-19)17-9-16-12/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,21)
InChIKeyRQICTLRLCKARLK-UHFFFAOYSA-N
XLogP1.79
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145266
N-(4-butylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145309
N-(3-chloro-4-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145264
N-[4-(cyclopropanecarbonyl)phenyl]-1,4,5,7,8,9-hexahydroimidazo[4,5-d]azocine-6-carboxamide
CID 20803123
N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 89183129
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
methyl 4-[[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39378080
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
methyl 4-[[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39377567
methyl 4-[[(4S)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29147617
methyl 4-[[(4R)-4-(3,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 29147620
N-methyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 57079776

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate?
The IUPAC name of methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate (CID 53145285) is methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3C2)cc1.
What is the InChIKey of methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate?
The InChIKey is RQICTLRLCKARLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-22-14(20)10-2-4-11(5-3-10)18-15(21)19-7-6-12-13(8-19)17-9-16-12/h2-5,9H,6-8H2,1H3,(H,16,17)(H,18,21).
What are the key properties of methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate?
methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate has a molecular weight of 300.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonylamino)benzoate is sourced from PubChem (CID 53145285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).