N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide

C23H24N4O2 — CID 44594255

IUPACN-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide
SMILESCc1ccc(CCC(=O)NCc2ccc(C(=O)Nc3cccnc3N)cc2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-4-6-17(7-5-16)10-13-21(28)26-15-18-8-11-19(12-9-18)23(29)27-20-3-2-14-25-22(20)24/h2-9,11-12,14H,10,13,15H2,1H3,(H2,24,25)(H,26,28)(H,27,29)
InChIKeyWLWVFRSDMYFSQO-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.47
Rot. Bonds7

About N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide

N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide (PubChem CID 44594255) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide
PubChem CID44594255
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide
SMILESCc1ccc(CCC(=O)NCc2ccc(C(=O)Nc3cccnc3N)cc2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-4-6-17(7-5-16)10-13-21(28)26-15-18-8-11-19(12-9-18)23(29)27-20-3-2-14-25-22(20)24/h2-9,11-12,14H,10,13,15H2,1H3,(H2,24,25)(H,26,28)(H,27,29)
InChIKeyWLWVFRSDMYFSQO-UHFFFAOYSA-N
XLogP3.47
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide
CID 67078760
N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
CID 44595113
N-(2-amino-3-pyridinyl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594967
N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide
CID 24883370
N-(2-amino-3-pyridinyl)-4-[[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]methyl]benzamide
CID 67078706
N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 108925345
4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide
CID 174591316
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-amino-3-pyridinyl)-4-[[3-(4-nitrophenyl)prop-2-enoylamino]methyl]benzamide
CID 67078369
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
4-[[5-[(4-aminophenyl)methoxy]pentylamino]methyl]-N-(2-amino-3-pyridinyl)benzamide
CID 67079175

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide?
The IUPAC name of N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide (CID 44594255) is N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide?
The canonical SMILES for N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide is Cc1ccc(CCC(=O)NCc2ccc(C(=O)Nc3cccnc3N)cc2)cc1.
What is the InChIKey of N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide?
The InChIKey is WLWVFRSDMYFSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-4-6-17(7-5-16)10-13-21(28)26-15-18-8-11-19(12-9-18)23(29)27-20-3-2-14-25-22(20)24/h2-9,11-12,14H,10,13,15H2,1H3,(H2,24,25)(H,26,28)(H,27,29).
What are the key properties of N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide?
N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide is sourced from PubChem (CID 44594255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).