N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide

C26H27N5O — CID 90280261

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(-c2cccnc2)n1
InChIInChI=1S/C26H27N5O/c1-18-13-24(26(32)29-15-21-10-8-20(14-27)9-11-21)19(2)31(18)17-23-6-3-7-25(30-23)22-5-4-12-28-16-22/h3-13,16H,14-15,17,27H2,1-2H3,(H,29,32)
InChIKeyPBAAHHAGMWJRRK-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.00
Rot. Bonds7

About N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide

N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide (PubChem CID 90280261) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide
PubChem CID90280261
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(-c2cccnc2)n1
InChIInChI=1S/C26H27N5O/c1-18-13-24(26(32)29-15-21-10-8-20(14-27)9-11-21)19(2)31(18)17-23-6-3-7-25(30-23)22-5-4-12-28-16-22/h3-13,16H,14-15,17,27H2,1-2H3,(H,29,32)
InChIKeyPBAAHHAGMWJRRK-UHFFFAOYSA-N
XLogP4.00
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide with MolForge

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Related Compounds

Niaprazine
CID 71919
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
Pha-767491
CID 11715767
2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
Parvine
CID 320217
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
Pyrrolopyridine, 35
CID 10007353
Pyrrolopyridine, 33
CID 10453611
7-ethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11380404
N-(2-aminophenyl)-4-{5-[(4-isopropylpiperazin-1-yl)methyl]-3-methylpyridin-2-yl}benzamide
CID 11575878
N-(2-aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-methylpyridin-2-yl}benzamide
CID 11633344
7-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11658652

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide (CID 90280261) is N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(-c2cccnc2)n1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide?
The InChIKey is PBAAHHAGMWJRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-18-13-24(26(32)29-15-21-10-8-20(14-27)9-11-21)19(2)31(18)17-23-6-3-7-25(30-23)22-5-4-12-28-16-22/h3-13,16H,14-15,17,27H2,1-2H3,(H,29,32).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide?
N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2,5-dimethyl-1-[(6-pyridin-3-yl-2-pyridinyl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 90280261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).