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

C23H25N5O2 — CID 174591316

IUPAC4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide
SMILESNCc1ccc(CCC(=O)NCc2ccc(C(=O)Nc3ccnc(N)c3)cc2)cc1
InChIInChI=1S/C23H25N5O2/c24-14-17-3-1-16(2-4-17)7-10-22(29)27-15-18-5-8-19(9-6-18)23(30)28-20-11-12-26-21(25)13-20/h1-6,8-9,11-13H,7,10,14-15,24H2,(H,27,29)(H3,25,26,28,30)
InChIKeyCQXRMIBJLHFKLF-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.62
Rot. Bonds8

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

4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide (PubChem CID 174591316) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide
PubChem CID174591316
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide
SMILESNCc1ccc(CCC(=O)NCc2ccc(C(=O)Nc3ccnc(N)c3)cc2)cc1
InChIInChI=1S/C23H25N5O2/c24-14-17-3-1-16(2-4-17)7-10-22(29)27-15-18-5-8-19(9-6-18)23(30)28-20-11-12-26-21(25)13-20/h1-6,8-9,11-13H,7,10,14-15,24H2,(H,27,29)(H3,25,26,28,30)
InChIKeyCQXRMIBJLHFKLF-UHFFFAOYSA-N
XLogP2.62
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide
CID 44594255
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide
CID 67078760
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157043383
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926492
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
methyl 3-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]propanoate;hydrochloride
CID 22362448
N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 47064659
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide?
The IUPAC name of 4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide (CID 174591316) is 4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide.
What is the SMILES notation for 4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide?
The canonical SMILES for 4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide is NCc1ccc(CCC(=O)NCc2ccc(C(=O)Nc3ccnc(N)c3)cc2)cc1.
What is the InChIKey of 4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide?
The InChIKey is CQXRMIBJLHFKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c24-14-17-3-1-16(2-4-17)7-10-22(29)27-15-18-5-8-19(9-6-18)23(30)28-20-11-12-26-21(25)13-20/h1-6,8-9,11-13H,7,10,14-15,24H2,(H,27,29)(H3,25,26,28,30).
What are the key properties of 4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide?
4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide has a molecular weight of 403.49 g/mol, XLogP of 2.62, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide is sourced from PubChem (CID 174591316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).