3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

C13H13N3 — CID 71096537

IUPAC3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=NC=C(Cc2c[nH]c3ncccc23)CC1
InChIInChI=1S/C13H13N3/c1-3-10(8-14-5-1)7-11-9-16-13-12(11)4-2-6-15-13/h2,4-6,8-9H,1,3,7H2,(H,15,16)
InChIKeyMPUXAFIJXUXVOP-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.85
Rot. Bonds2

About 3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71096537) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID71096537
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESC1=NC=C(Cc2c[nH]c3ncccc23)CC1
InChIInChI=1S/C13H13N3/c1-3-10(8-14-5-1)7-11-9-16-13-12(11)4-2-6-15-13/h2,4-6,8-9H,1,3,7H2,(H,15,16)
InChIKeyMPUXAFIJXUXVOP-UHFFFAOYSA-N
XLogP2.85
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
4-fluoro-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,4-dihydropyridin-2-yl]benzamide
CID 143680469
3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 91928260
3-[(3-methoxy-5-methylcyclohepta-1,3,5-trien-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 143071928
2-(cyclopenten-1-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 114153186
3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 86671429
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 59362788
1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine
CID 66413706
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-1-amine
CID 83007539

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 71096537) is 3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is C1=NC=C(Cc2c[nH]c3ncccc23)CC1.
What is the InChIKey of 3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MPUXAFIJXUXVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-3-10(8-14-5-1)7-11-9-16-13-12(11)4-2-6-15-13/h2,4-6,8-9H,1,3,7H2,(H,15,16).
What are the key properties of 3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 211.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydropyridin-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71096537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).