N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide

C20H23N5O2 — CID 167832127

IUPACN-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESCC1CCN(CCOc2ccc(NC(=O)c3ccc4[nH]cnc4n3)cc2)C1
InChIInChI=1S/C20H23N5O2/c1-14-8-9-25(12-14)10-11-27-16-4-2-15(3-5-16)23-20(26)18-7-6-17-19(24-18)22-13-21-17/h2-7,13-14H,8-12H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyLCWBRSHJKXKRON-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.93
Rot. Bonds6

About N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide

N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 167832127) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID167832127
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESCC1CCN(CCOc2ccc(NC(=O)c3ccc4[nH]cnc4n3)cc2)C1
InChIInChI=1S/C20H23N5O2/c1-14-8-9-25(12-14)10-11-27-16-4-2-15(3-5-16)23-20(26)18-7-6-17-19(24-18)22-13-21-17/h2-7,13-14H,8-12H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyLCWBRSHJKXKRON-UHFFFAOYSA-N
XLogP2.93
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 71985880
(2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide
CID 119897847
2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide
CID 133179595
(2S)-2-methoxy-2-methyl-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]butanamide
CID 125060717
(2S)-N-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 99107051
1-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100691827
2-methyl-5-[2-(3-methylpyrrolidin-1-yl)ethoxy]-1H-indole-3-carboxylic acid
CID 22311946
(2S)-2-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 100739829
1-(4-methoxyphenyl)-N-[4-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclopentane-1-carboxamide
CID 125061190
2-methyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246929
1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100678357
2-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methylpropanamide
CID 100691005

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide (CID 167832127) is N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide is CC1CCN(CCOc2ccc(NC(=O)c3ccc4[nH]cnc4n3)cc2)C1.
What is the InChIKey of N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is LCWBRSHJKXKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-8-9-25(12-14)10-11-27-16-4-2-15(3-5-16)23-20(26)18-7-6-17-19(24-18)22-13-21-17/h2-7,13-14H,8-12H2,1H3,(H,23,26)(H,21,22,24).
What are the key properties of N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide?
N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 167832127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).