N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide

C20H31N5O — CID 83272706

IUPACN-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(Cc2nc3cccnc3n2CC(C)C)C1
InChIInChI=1S/C20H31N5O/c1-14(2)11-22-20(26)24-9-7-16(13-24)10-18-23-17-6-5-8-21-19(17)25(18)12-15(3)4/h5-6,8,14-16H,7,9-13H2,1-4H3,(H,22,26)
InChIKeyPKRBGJFQKOPHRD-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.32
Rot. Bonds6

About N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide

N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 83272706) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID83272706
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC NameN-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCC(Cc2nc3cccnc3n2CC(C)C)C1
InChIInChI=1S/C20H31N5O/c1-14(2)11-22-20(26)24-9-7-16(13-24)10-18-23-17-6-5-8-21-19(17)25(18)12-15(3)4/h5-6,8,14-16H,7,9-13H2,1-4H3,(H,22,26)
InChIKeyPKRBGJFQKOPHRD-UHFFFAOYSA-N
XLogP3.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71835939
3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 83272666
[(3R)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 95112513
N-(4-methoxy-2-methylphenyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 53194571
2-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117164029
[3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 83273773
(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 95112501
1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 97429167
N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
CID 83272991
(3R)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95112504
methyl 3-[[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carbonyl]amino]propanoate
CID 53194516
2-[[(3R)-1-(3,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 97429232

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide (CID 83272706) is N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide is CC(C)CNC(=O)N1CCC(Cc2nc3cccnc3n2CC(C)C)C1.
What is the InChIKey of N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is PKRBGJFQKOPHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-14(2)11-22-20(26)24-9-7-16(13-24)10-18-23-17-6-5-8-21-19(17)25(18)12-15(3)4/h5-6,8,14-16H,7,9-13H2,1-4H3,(H,22,26).
What are the key properties of N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide?
N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 83272706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).