N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

C19H24N4O — CID 119438454

IUPACN-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cccnc2N2CCCC2)c1
InChIInChI=1S/C19H24N4O/c1-2-20-14-15-7-5-8-16(13-15)22-19(24)17-9-6-10-21-18(17)23-11-3-4-12-23/h5-10,13,20H,2-4,11-12,14H2,1H3,(H,22,24)
InChIKeyZAERVSKINRNGSP-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.04
Rot. Bonds6

About N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 119438454) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID119438454
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cccnc2N2CCCC2)c1
InChIInChI=1S/C19H24N4O/c1-2-20-14-15-7-5-8-16(13-15)22-19(24)17-9-6-10-21-18(17)23-11-3-4-12-23/h5-10,13,20H,2-4,11-12,14H2,1H3,(H,22,24)
InChIKeyZAERVSKINRNGSP-UHFFFAOYSA-N
XLogP3.04
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164
N-[3-(ethylaminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82808670
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 56508446
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84576179
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 46489174

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 119438454) is N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is CCNCc1cccc(NC(=O)c2cccnc2N2CCCC2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is ZAERVSKINRNGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-20-14-15-7-5-8-16(13-15)22-19(24)17-9-6-10-21-18(17)23-11-3-4-12-23/h5-10,13,20H,2-4,11-12,14H2,1H3,(H,22,24).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 119438454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).