3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

C19H33N5O — CID 118738970

IUPAC3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCC(C)N1CCc2ncn(C(C)C)c2C1C(=O)NCCN1CCCC1
InChIInChI=1S/C19H33N5O/c1-14(2)23-11-7-16-17(24(13-21-16)15(3)4)18(23)19(25)20-8-12-22-9-5-6-10-22/h13-15,18H,5-12H2,1-4H3,(H,20,25)
InChIKeyUTQQVJMXZSJBAL-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.98
Rot. Bonds6

About 3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 118738970) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID118738970
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCC(C)N1CCc2ncn(C(C)C)c2C1C(=O)NCCN1CCCC1
InChIInChI=1S/C19H33N5O/c1-14(2)23-11-7-16-17(24(13-21-16)15(3)4)18(23)19(25)20-8-12-22-9-5-6-10-22/h13-15,18H,5-12H2,1-4H3,(H,20,25)
InChIKeyUTQQVJMXZSJBAL-UHFFFAOYSA-N
XLogP1.98
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (CID 118738970) is 3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is CC(C)N1CCc2ncn(C(C)C)c2C1C(=O)NCCN1CCCC1.
What is the InChIKey of 3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is UTQQVJMXZSJBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-14(2)23-11-7-16-17(24(13-21-16)15(3)4)18(23)19(25)20-8-12-22-9-5-6-10-22/h13-15,18H,5-12H2,1-4H3,(H,20,25).
What are the key properties of 3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 118738970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).