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

C19H20N4O — CID 56884668

IUPAC[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCn1ccc2c(-c3ncccc3C(=O)N3CCCCC3)ccnc21
InChIInChI=1S/C19H20N4O/c1-22-13-8-15-14(7-10-21-18(15)22)17-16(6-5-9-20-17)19(24)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3
InChIKeyJMACVSUHPXFCMM-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.26
Rot. Bonds2

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

[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 56884668) 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)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID56884668
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCn1ccc2c(-c3ncccc3C(=O)N3CCCCC3)ccnc21
InChIInChI=1S/C19H20N4O/c1-22-13-8-15-14(7-10-21-18(15)22)17-16(6-5-9-20-17)19(24)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3
InChIKeyJMACVSUHPXFCMM-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)-4-pyridinyl]-piperidin-1-ylmethanone
CID 70719790
imidazo[1,2-a]pyridin-8-yl(piperidin-1-yl)methanone
CID 110704345
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269
[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 74244180
[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74230165
[2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74242283
[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74249651
[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 162638191
[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74242509
N-cycloheptyl-1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 46390267
(2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone
CID 117213585
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 56884668) is [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone is Cn1ccc2c(-c3ncccc3C(=O)N3CCCCC3)ccnc21.
What is the InChIKey of [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is JMACVSUHPXFCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-13-8-15-14(7-10-21-18(15)22)17-16(6-5-9-20-17)19(24)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of [2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-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)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56884668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).