N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C19H14FN5O — CID 121411952

IUPACN-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)nc2)ccn1
InChIInChI=1S/C19H14FN5O/c1-11(26)24-16-9-12(6-8-21-16)18-17(13-4-5-15(20)23-10-13)19-14(25-18)3-2-7-22-19/h2-10,25H,1H3,(H,21,24,26)
InChIKeyMTOKESMTTXYGSQ-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.78
Rot. Bonds3

About N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121411952) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID121411952
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC NameN-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)nc2)ccn1
InChIInChI=1S/C19H14FN5O/c1-11(26)24-16-9-12(6-8-21-16)18-17(13-4-5-15(20)23-10-13)19-14(25-18)3-2-7-22-19/h2-10,25H,1H3,(H,21,24,26)
InChIKeyMTOKESMTTXYGSQ-UHFFFAOYSA-N
XLogP3.78
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(2-methylpyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121431775
N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411960
N-[4-(3-quinolin-8-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 121411797
2-chloro-N-[4-[3-(6-methyl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121431841
N-[4-[3-(4-methylpyrimidin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121412061
methyl N-[4-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]carbamate
CID 121412121
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride
CID 22987997
N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide
CID 67240144
2-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-1-ol dichloride
CID 56946960
2-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-1-ol;hydrochloride
CID 172873220
2-(4-fluorophenyl)-3-oxo-3-[[4-(3-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 170305254
N-[4-[6-(aminomethyl)-3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411877

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121411952) is N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)nc2)ccn1.
What is the InChIKey of N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is MTOKESMTTXYGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-11(26)24-16-9-12(6-8-21-16)18-17(13-4-5-15(20)23-10-13)19-14(25-18)3-2-7-22-19/h2-10,25H,1H3,(H,21,24,26).
What are the key properties of N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 347.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(6-fluoro-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121411952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).