N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide

C20H19N5O — CID 23298087

IUPACN-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncccc1/C=C/c1cccc(Nc2ncccc2N)c1
InChIInChI=1S/C20H19N5O/c1-14(26)24-19-16(6-3-11-22-19)10-9-15-5-2-7-17(13-15)25-20-18(21)8-4-12-23-20/h2-13H,21H2,1H3,(H,23,25)(H,22,24,26)/b10-9+
InChIKeyZENBIJKDZJWBAW-MDZDMXLPSA-N
MW345.41 g/mol
LogP3.93
Rot. Bonds5

About N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide

N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide (PubChem CID 23298087) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide
PubChem CID23298087
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncccc1/C=C/c1cccc(Nc2ncccc2N)c1
InChIInChI=1S/C20H19N5O/c1-14(26)24-19-16(6-3-11-22-19)10-9-15-5-2-7-17(13-15)25-20-18(21)8-4-12-23-20/h2-13H,21H2,1H3,(H,23,25)(H,22,24,26)/b10-9+
InChIKeyZENBIJKDZJWBAW-MDZDMXLPSA-N
XLogP3.93
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine
CID 22724451
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide
CID 82089213
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591
ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate
CID 67021554
methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate
CID 67021599
tert-butyl 2-[4-[(3-amino-2-pyridinyl)amino]phenyl]acetate
CID 159451507
1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone
CID 82084693
N-[3-(2-cyanoethenyl)phenyl]acetamide
CID 169483845
(E)-3-(3-aminophenyl)-N-(3-bromo-2-pyridinyl)prop-2-enamide
CID 115344427
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
1-(3-amino-4-methoxyphenyl)-3-(2-anilino-3-pyridinyl)prop-2-en-1-one
CID 123938743

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide (CID 23298087) is N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide is CC(=O)Nc1ncccc1/C=C/c1cccc(Nc2ncccc2N)c1.
What is the InChIKey of N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide?
The InChIKey is ZENBIJKDZJWBAW-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14(26)24-19-16(6-3-11-22-19)10-9-15-5-2-7-17(13-15)25-20-18(21)8-4-12-23-20/h2-13H,21H2,1H3,(H,23,25)(H,22,24,26)/b10-9+.
What are the key properties of N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide?
N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide has a molecular weight of 345.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 23298087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).