methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C12H19N3O2 — CID 25339053

IUPACmethyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCCn1cnc2c1CN(C)[C@H](C(=O)OC)C2
InChIInChI=1S/C12H19N3O2/c1-4-5-15-8-13-9-6-10(12(16)17-3)14(2)7-11(9)15/h8,10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyVYMWJXVUCZTLOW-JTQLQIEISA-N
MW237.30 g/mol
LogP0.82
Rot. Bonds3

About methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 25339053) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID25339053
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCCn1cnc2c1CN(C)[C@H](C(=O)OC)C2
InChIInChI=1S/C12H19N3O2/c1-4-5-15-8-13-9-6-10(12(16)17-3)14(2)7-11(9)15/h8,10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyVYMWJXVUCZTLOW-JTQLQIEISA-N
XLogP0.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 25339053) is methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is CCCn1cnc2c1CN(C)[C@H](C(=O)OC)C2.
What is the InChIKey of methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is VYMWJXVUCZTLOW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-5-15-8-13-9-6-10(12(16)17-3)14(2)7-11(9)15/h8,10H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-5-methyl-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 25339053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).