4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide

C19H18N6O2 — CID 89395284

IUPAC4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide
SMILES[H]/N=C(\c1ccc(C(=O)Nc2cc(OC)ccn2)cc1)c1c(N)ccnc1N
InChIInChI=1S/C19H18N6O2/c1-27-13-6-8-23-15(10-13)25-19(26)12-4-2-11(3-5-12)17(21)16-14(20)7-9-24-18(16)22/h2-10,21H,1H3,(H4,20,22,24)(H,23,25,26)/b21-17+
InChIKeyNRDJSHAYALPDPT-HEHNFIMWSA-N
MW362.39 g/mol
LogP2.32
Rot. Bonds5

About 4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide

4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide (PubChem CID 89395284) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide
PubChem CID89395284
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide
SMILES[H]/N=C(\c1ccc(C(=O)Nc2cc(OC)ccn2)cc1)c1c(N)ccnc1N
InChIInChI=1S/C19H18N6O2/c1-27-13-6-8-23-15(10-13)25-19(26)12-4-2-11(3-5-12)17(21)16-14(20)7-9-24-18(16)22/h2-10,21H,1H3,(H4,20,22,24)(H,23,25,26)/b21-17+
InChIKeyNRDJSHAYALPDPT-HEHNFIMWSA-N
XLogP2.32
TPSA140.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(4-methoxy-2-pyridinyl)benzamide
CID 121273557
3-amino-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 81090250
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
CID 102821471
5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184725
4-[4-amino-6-(pyrrolidin-3-ylamino)pyrimidine-5-carboximidoyl]-N-(4-propan-2-yl-2-pyridinyl)benzamide
CID 145011007
1-ethyl-N-(4-methoxy-2-pyridinyl)pyrazole-4-carboxamide
CID 75392803
3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine
CID 87796835
4-[4-amino-6-[(1-prop-2-enoylpiperidin-3-yl)amino]pyrimidine-5-carboximidoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 145010942
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide
CID 144992065
N-(4-methoxy-2-pyridinyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 75434501

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide?
The IUPAC name of 4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide (CID 89395284) is 4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide?
The canonical SMILES for 4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide is [H]/N=C(\c1ccc(C(=O)Nc2cc(OC)ccn2)cc1)c1c(N)ccnc1N.
What is the InChIKey of 4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide?
The InChIKey is NRDJSHAYALPDPT-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-27-13-6-8-23-15(10-13)25-19(26)12-4-2-11(3-5-12)17(21)16-14(20)7-9-24-18(16)22/h2-10,21H,1H3,(H4,20,22,24)(H,23,25,26)/b21-17+.
What are the key properties of 4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide?
4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide has a molecular weight of 362.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 89395284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).