N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide

C20H22N4O2 — CID 100709801

IUPACN-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide
SMILESO=C1C[C@H](CNC(=O)N2CCc3cnccc32)CN1Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c25-19-10-16(14-23(19)13-15-4-2-1-3-5-15)11-22-20(26)24-9-7-17-12-21-8-6-18(17)24/h1-6,8,12,16H,7,9-11,13-14H2,(H,22,26)/t16-/m1/s1
InChIKeyNNFNDZMCBNGKGX-MRXNPFEDSA-N
MW350.42 g/mol
LogP2.20
Rot. Bonds4

About N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide

N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide (PubChem CID 100709801) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide
PubChem CID100709801
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide
SMILESO=C1C[C@H](CNC(=O)N2CCc3cnccc32)CN1Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c25-19-10-16(14-23(19)13-15-4-2-1-3-5-15)11-22-20(26)24-9-7-17-12-21-8-6-18(17)24/h1-6,8,12,16H,7,9-11,13-14H2,(H,22,26)/t16-/m1/s1
InChIKeyNNFNDZMCBNGKGX-MRXNPFEDSA-N
XLogP2.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
CID 3025488
3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 139022011
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide?
The IUPAC name of N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide (CID 100709801) is N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide?
The canonical SMILES for N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide is O=C1C[C@H](CNC(=O)N2CCc3cnccc32)CN1Cc1ccccc1.
What is the InChIKey of N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide?
The InChIKey is NNFNDZMCBNGKGX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19-10-16(14-23(19)13-15-4-2-1-3-5-15)11-22-20(26)24-9-7-17-12-21-8-6-18(17)24/h1-6,8,12,16H,7,9-11,13-14H2,(H,22,26)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide?
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide is sourced from PubChem (CID 100709801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).