2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone

C18H20N4O — CID 167893739

IUPAC2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone
SMILESC[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCc2ccncc21
InChIInChI=1S/C18H20N4O/c1-13-11-21(17-4-2-3-7-20-17)12-15(13)18(23)22-9-6-14-5-8-19-10-16(14)22/h2-5,7-8,10,13,15H,6,9,11-12H2,1H3/t13-,15-/m1/s1
InChIKeyTXLLXRCDMCLYFE-UKRRQHHQSA-N
MW308.38 g/mol
LogP2.14
Rot. Bonds2

About 2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone

2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone (PubChem CID 167893739) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone
PubChem CID167893739
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone
SMILESC[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCc2ccncc21
InChIInChI=1S/C18H20N4O/c1-13-11-21(17-4-2-3-7-20-17)12-15(13)18(23)22-9-6-14-5-8-19-10-16(14)22/h2-5,7-8,10,13,15H,6,9,11-12H2,1H3/t13-,15-/m1/s1
InChIKeyTXLLXRCDMCLYFE-UKRRQHHQSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977351
[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-(4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-5-yl)methanone
CID 139020528
(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 136581855
3-(cyclopropylmethyl)-1-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carbonyl]imidazolidin-4-one
CID 128987415
(3S,4S)-N-[2-(dimethylamino)-3-pyridinyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154798977
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
2-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682742
1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
CID 91650455
(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128987227
(3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 167792405
2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216263
cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682493

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone (CID 167893739) is 2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone is C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCc2ccncc21.
What is the InChIKey of 2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone?
The InChIKey is TXLLXRCDMCLYFE-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-11-21(17-4-2-3-7-20-17)12-15(13)18(23)22-9-6-14-5-8-19-10-16(14)22/h2-5,7-8,10,13,15H,6,9,11-12H2,1H3/t13-,15-/m1/s1.
What are the key properties of 2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone?
2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrolo[2,3-c]pyridin-1-yl-[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 167893739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).