N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide

C19H25N5O2 — CID 145488739

IUPACN-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide
SMILESCCCCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(N)=O
InChIInChI=1S/C19H25N5O2/c1-2-3-6-11-24(19(21)26)13-14-9-10-17(22-12-14)18(25)23-16-8-5-4-7-15(16)20/h4-5,7-10,12H,2-3,6,11,13,20H2,1H3,(H2,21,26)(H,23,25)
InChIKeyDWANATWMTJWUNX-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.99
Rot. Bonds8

About N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 145488739) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide
PubChem CID145488739
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide
SMILESCCCCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(N)=O
InChIInChI=1S/C19H25N5O2/c1-2-3-6-11-24(19(21)26)13-14-9-10-17(22-12-14)18(25)23-16-8-5-4-7-15(16)20/h4-5,7-10,12H,2-3,6,11,13,20H2,1H3,(H2,21,26)(H,23,25)
InChIKeyDWANATWMTJWUNX-UHFFFAOYSA-N
XLogP2.99
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 145488633
N-(2-aminophenyl)-5-[[pentyl(thiophen-3-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 145488614
N-(2-aminophenyl)-5-ethylpyridine-2-carboxamide
CID 145488615
N-(2-aminophenyl)-5-[[1-[4-(dimethylamino)anilino]ethenyl-[4-(dimethylamino)butyl]amino]methyl]pyridine-2-carboxamide
CID 89124435
N-(2-aminophenyl)-5-[[butan-2-ylcarbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 59225014
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-(thiophen-2-ylcarbamoyl)amino]methyl]pyridine-2-carboxamide
CID 59225169
N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 25029580
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 145488767
N-(2-aminophenyl)-5-[[(3-chlorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 59225101
N-(2-aminophenyl)-5-[[3-(diethylamino)propyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 59225226
N-(2-aminophenyl)-5-[[[(Z)-1-aminoprop-1-enyl]-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]pyridine-2-carboxamide
CID 89119900
N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide
CID 25027313

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide (CID 145488739) is N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide is CCCCCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(N)=O.
What is the InChIKey of N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide?
The InChIKey is DWANATWMTJWUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-3-6-11-24(19(21)26)13-14-9-10-17(22-12-14)18(25)23-16-8-5-4-7-15(16)20/h4-5,7-10,12H,2-3,6,11,13,20H2,1H3,(H2,21,26)(H,23,25).
What are the key properties of N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 145488739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).