N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide

C18H20N4O — CID 53145099

IUPACN-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
SMILESCCCn1cc(CCNC(=O)c2cccnc2)c2cccnc21
InChIInChI=1S/C18H20N4O/c1-2-11-22-13-15(16-6-4-9-20-17(16)22)7-10-21-18(23)14-5-3-8-19-12-14/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,21,23)
InChIKeyFJAXYSHPBJPMDR-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide

N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 53145099) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID53145099
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
SMILESCCCn1cc(CCNC(=O)c2cccnc2)c2cccnc21
InChIInChI=1S/C18H20N4O/c1-2-11-22-13-15(16-6-4-9-20-17(16)22)7-10-21-18(23)14-5-3-8-19-12-14/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,21,23)
InChIKeyFJAXYSHPBJPMDR-UHFFFAOYSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138
2-methyl-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
CID 53145144
6-chloro-N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 53144962
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 53145112
2-(3-fluorophenyl)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145109
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-4-methoxybenzamide
CID 53144995
6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide
CID 53145168
1-(3-chloro-4-methylphenyl)-3-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144667
(3R)-N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95095657
N-(2-methoxyethyl)-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162969
N-[2-(2-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 67172955
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide
CID 53144971

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide (CID 53145099) is N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide is CCCn1cc(CCNC(=O)c2cccnc2)c2cccnc21.
What is the InChIKey of N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is FJAXYSHPBJPMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-11-22-13-15(16-6-4-9-20-17(16)22)7-10-21-18(23)14-5-3-8-19-12-14/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,21,23).
What are the key properties of N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 53145099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).