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

C17H29N5O — CID 118738971

IUPAC3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCC(C)N1CCc2ncn(C)c2C1C(=O)NCCN1CCCC1
InChIInChI=1S/C17H29N5O/c1-13(2)22-10-6-14-15(20(3)12-19-14)16(22)17(23)18-7-11-21-8-4-5-9-21/h12-13,16H,4-11H2,1-3H3,(H,18,23)
InChIKeyCNKNVGJOERTTTI-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.94
Rot. Bonds5

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

3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 118738971) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID118738971
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCC(C)N1CCc2ncn(C)c2C1C(=O)NCCN1CCCC1
InChIInChI=1S/C17H29N5O/c1-13(2)22-10-6-14-15(20(3)12-19-14)16(22)17(23)18-7-11-21-8-4-5-9-21/h12-13,16H,4-11H2,1-3H3,(H,18,23)
InChIKeyCNKNVGJOERTTTI-UHFFFAOYSA-N
XLogP0.94
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (CID 118738971) is 3-methyl-5-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-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is CC(C)N1CCc2ncn(C)c2C1C(=O)NCCN1CCCC1.
What is the InChIKey of 3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is CNKNVGJOERTTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(2)22-10-6-14-15(20(3)12-19-14)16(22)17(23)18-7-11-21-8-4-5-9-21/h12-13,16H,4-11H2,1-3H3,(H,18,23).
What are the key properties of 3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 118738971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).