[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone

C19H20N4O — CID 70719790

IUPAC[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCn1ccc2c(-c3cc(C(=O)N4CCCCC4)ccn3)ccnc21
InChIInChI=1S/C19H20N4O/c1-22-12-7-16-15(6-9-21-18(16)22)17-13-14(5-8-20-17)19(24)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11H2,1H3
InChIKeyFLJXTOHFUKXJSS-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.26
Rot. Bonds2

About [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone

[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 70719790) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID70719790
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCn1ccc2c(-c3cc(C(=O)N4CCCCC4)ccn3)ccnc21
InChIInChI=1S/C19H20N4O/c1-22-12-7-16-15(6-9-21-18(16)22)17-13-14(5-8-20-17)19(24)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11H2,1H3
InChIKeyFLJXTOHFUKXJSS-UHFFFAOYSA-N
XLogP3.26
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56884668
azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469131
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
azepan-1-yl-(2-tert-butyl-4-pyridinyl)methanone
CID 4731353
5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyridine-3-carboxylic acid
CID 70713119
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
4-[6-(pyrrolidine-1-carbonyl)quinolin-4-yl]benzoic acid
CID 142527633
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 74232037
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone (CID 70719790) is [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone is Cn1ccc2c(-c3cc(C(=O)N4CCCCC4)ccn3)ccnc21.
What is the InChIKey of [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is FLJXTOHFUKXJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-12-7-16-15(6-9-21-18(16)22)17-13-14(5-8-20-17)19(24)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11H2,1H3.
What are the key properties of [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone?
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 320.40 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 70719790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).