(3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide

C20H23N3O2 — CID 97259812

IUPAC(3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnc2c(c1)COCC2)N1CC[C@H](Cc2ccccc2)C1
InChIInChI=1S/C20H23N3O2/c24-20(22-18-11-17-14-25-9-7-19(17)21-12-18)23-8-6-16(13-23)10-15-4-2-1-3-5-15/h1-5,11-12,16H,6-10,13-14H2,(H,22,24)/t16-/m1/s1
InChIKeyCHIAMARFYCWCDD-MRXNPFEDSA-N
MW337.42 g/mol
LogP3.25
Rot. Bonds3

About (3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide

(3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 97259812) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide
PubChem CID97259812
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnc2c(c1)COCC2)N1CC[C@H](Cc2ccccc2)C1
InChIInChI=1S/C20H23N3O2/c24-20(22-18-11-17-14-25-9-7-19(17)21-12-18)23-8-6-16(13-23)10-15-4-2-1-3-5-15/h1-5,11-12,16H,6-10,13-14H2,(H,22,24)/t16-/m1/s1
InChIKeyCHIAMARFYCWCDD-MRXNPFEDSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide
CID 136515388
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
3-benzyl-N-(3-methylsulfinylphenyl)pyrrolidine-1-carboxamide
CID 71992201
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 126768823
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119725012
(3S)-N-(3,5-difluorophenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 164638725
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide (CID 97259812) is (3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide is O=C(Nc1cnc2c(c1)COCC2)N1CC[C@H](Cc2ccccc2)C1.
What is the InChIKey of (3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is CHIAMARFYCWCDD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(22-18-11-17-14-25-9-7-19(17)21-12-18)23-8-6-16(13-23)10-15-4-2-1-3-5-15/h1-5,11-12,16H,6-10,13-14H2,(H,22,24)/t16-/m1/s1.
What are the key properties of (3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
(3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97259812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).