4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide

C14H16N4O — CID 60871365

IUPAC4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1N)c1ccnc(C(N)=O)c1
InChIInChI=1S/C14H16N4O/c1-18(9-10-4-2-3-5-12(10)15)11-6-7-17-13(8-11)14(16)19/h2-8H,9,15H2,1H3,(H2,16,19)
InChIKeyFOVLRTGQTQOSFQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.40
Rot. Bonds4

About 4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide

4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide (PubChem CID 60871365) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
PubChem CID60871365
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1N)c1ccnc(C(N)=O)c1
InChIInChI=1S/C14H16N4O/c1-18(9-10-4-2-3-5-12(10)15)11-6-7-17-13(8-11)14(16)19/h2-8H,9,15H2,1H3,(H2,16,19)
InChIKeyFOVLRTGQTQOSFQ-UHFFFAOYSA-N
XLogP1.40
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyridyl)benzamide
CID 78893
Bupicomide
CID 31447
Kdoam-25
CID 91810435
N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}pyridine-2-carbohydrazide
CID 6878849
4-Methyl-N-4-pyridinylbenzamide
CID 84517
Picolinic acid, 2-benzylhydrazide
CID 73101
2-Ethylisonicotinamide
CID 76905
Piberaline
CID 65975
WF-536 Hydrochloride
CID 9860439
5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide
CID 156596360
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
CID 25126154

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide (CID 60871365) is 4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide is CN(Cc1ccccc1N)c1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide?
The InChIKey is FOVLRTGQTQOSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18(9-10-4-2-3-5-12(10)15)11-6-7-17-13(8-11)14(16)19/h2-8H,9,15H2,1H3,(H2,16,19).
What are the key properties of 4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide?
4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 60871365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).