N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide

C15H18N4O — CID 104669124

IUPACN-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide
SMILESCC(C)N(Cc1cccc(N)c1)C(=O)c1ccnnc1
InChIInChI=1S/C15H18N4O/c1-11(2)19(10-12-4-3-5-14(16)8-12)15(20)13-6-7-17-18-9-13/h3-9,11H,10,16H2,1-2H3
InChIKeyYTZYCVVLPNEUGL-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.11
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide

N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide (PubChem CID 104669124) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide
PubChem CID104669124
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide
SMILESCC(C)N(Cc1cccc(N)c1)C(=O)c1ccnnc1
InChIInChI=1S/C15H18N4O/c1-11(2)19(10-12-4-3-5-14(16)8-12)15(20)13-6-7-17-18-9-13/h3-9,11H,10,16H2,1-2H3
InChIKeyYTZYCVVLPNEUGL-UHFFFAOYSA-N
XLogP2.11
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 43460190
N-[(3-aminophenyl)methyl]-4-hydroxy-N-propan-2-ylbenzamide
CID 43460181
N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 43460200
N-[(3-aminophenyl)methyl]-3-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 107516858
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-[(3-aminophenyl)methyl]-N-propan-2-ylthiadiazole-4-carboxamide
CID 65214123
2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetic acid
CID 115909768
N-[(3-aminophenyl)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 43460178
N-(2-bromoethyl)-N-propan-2-ylpyridazine-4-carboxamide
CID 104672528
1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700032
N-[(3-aminophenyl)methyl]-2,5-dibromo-N-propan-2-ylthiophene-3-carboxamide
CID 107959331
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylpyridazine-4-carboxamide
CID 104670412

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide (CID 104669124) is N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide is CC(C)N(Cc1cccc(N)c1)C(=O)c1ccnnc1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide?
The InChIKey is YTZYCVVLPNEUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(2)19(10-12-4-3-5-14(16)8-12)15(20)13-6-7-17-18-9-13/h3-9,11H,10,16H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide?
N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridazine-4-carboxamide is sourced from PubChem (CID 104669124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).