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

C18H24N6O2 — CID 145488633

IUPACN-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(N)=O
InChIInChI=1S/C18H24N6O2/c1-23(2)9-10-24(18(20)26)12-13-7-8-16(21-11-13)17(25)22-15-6-4-3-5-14(15)19/h3-8,11H,9-10,12,19H2,1-2H3,(H2,20,26)(H,22,25)
InChIKeyRSHOMMBVLMZVOT-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.36
Rot. Bonds7

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

N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide (PubChem CID 145488633) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
PubChem CID145488633
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
SMILESCN(C)CCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(N)=O
InChIInChI=1S/C18H24N6O2/c1-23(2)9-10-24(18(20)26)12-13-7-8-16(21-11-13)17(25)22-15-6-4-3-5-14(15)19/h3-8,11H,9-10,12,19H2,1-2H3,(H2,20,26)(H,22,25)
InChIKeyRSHOMMBVLMZVOT-UHFFFAOYSA-N
XLogP1.36
TPSA117.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide (CID 145488633) is N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide is CN(C)CCN(Cc1ccc(C(=O)Nc2ccccc2N)nc1)C(N)=O.
What is the InChIKey of N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?
The InChIKey is RSHOMMBVLMZVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-23(2)9-10-24(18(20)26)12-13-7-8-16(21-11-13)17(25)22-15-6-4-3-5-14(15)19/h3-8,11H,9-10,12,19H2,1-2H3,(H2,20,26)(H,22,25).
What are the key properties of N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 145488633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).