2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

C19H32N4O — CID 45268648

IUPAC2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCCCN(C)C(=O)N1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C19H32N4O/c1-6-10-21(5)18(24)22-11-9-16-15(13-22)20-17(19(2,3)4)23(16)12-14-7-8-14/h14H,6-13H2,1-5H3
InChIKeyWIIHMEQUYOXNBV-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.41
Rot. Bonds4

About 2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 45268648) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
PubChem CID45268648
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCCCN(C)C(=O)N1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C19H32N4O/c1-6-10-21(5)18(24)22-11-9-16-15(13-22)20-17(19(2,3)4)23(16)12-14-7-8-14/h14H,6-13H2,1-5H3
InChIKeyWIIHMEQUYOXNBV-UHFFFAOYSA-N
XLogP3.41
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (CID 45268648) is 2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is CCCN(C)C(=O)N1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1.
What is the InChIKey of 2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is WIIHMEQUYOXNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-6-10-21(5)18(24)22-11-9-16-15(13-22)20-17(19(2,3)4)23(16)12-14-7-8-14/h14H,6-13H2,1-5H3.
What are the key properties of 2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(cyclopropylmethyl)-N-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 45268648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).