4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide

C20H17N7O2 — CID 144992065

IUPAC4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide
SMILESC/N=C(\N)c1c(Oc2ccc(C(=O)Nc3cc(C#N)ccn3)cc2)ccnc1N
InChIInChI=1S/C20H17N7O2/c1-24-18(22)17-15(7-9-26-19(17)23)29-14-4-2-13(3-5-14)20(28)27-16-10-12(11-21)6-8-25-16/h2-10H,1H3,(H2,22,24)(H2,23,26)(H,25,27,28)
InChIKeyLNZUKMFEYGXCSY-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.31
Rot. Bonds5

About 4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide

4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide (PubChem CID 144992065) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide
PubChem CID144992065
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide
SMILESC/N=C(\N)c1c(Oc2ccc(C(=O)Nc3cc(C#N)ccn3)cc2)ccnc1N
InChIInChI=1S/C20H17N7O2/c1-24-18(22)17-15(7-9-26-19(17)23)29-14-4-2-13(3-5-14)20(28)27-16-10-12(11-21)6-8-25-16/h2-10H,1H3,(H2,22,24)(H2,23,26)(H,25,27,28)
InChIKeyLNZUKMFEYGXCSY-UHFFFAOYSA-N
XLogP2.31
TPSA152.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[[amino-[2-amino-4-[4-(phenylcarbamoyl)phenoxy]-3-pyridinyl]methylidene]amino]piperidine-1-carboxylic acid
CID 144991884
4-[[2-amino-3-[N'-[1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]carbamimidoyl]-4-pyridinyl]oxy]-N-pyridin-2-ylbenzamide
CID 144992222
4-(6-aminoquinolin-4-yl)oxy-N-(4-ethyl-2-pyridinyl)benzamide
CID 121273481
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
CID 102821471
4-(2,4-diaminopyridine-3-carboximidoyl)-N-(4-methoxy-2-pyridinyl)benzamide
CID 89395284
1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 56675716
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
tert-butyl (3R)-3-[[4-[4-[(4-cyano-2-pyridinyl)carbamoyl]phenoxy]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]piperidine-1-carboxylate
CID 118623946
4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyano-2-pyridinyl)benzamide
CID 71225878
4-[[2-amino-3-[[1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]carbamothioyl]-4-pyridinyl]oxy]-N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 144992221
N-(4-chloro-2-pyridinyl)-3-cyanobenzamide
CID 108797461
N-[4-(4-cyanophenyl)-2-pyridinyl]benzamide
CID 155673932

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide?
The IUPAC name of 4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide (CID 144992065) is 4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide?
The canonical SMILES for 4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide is C/N=C(\N)c1c(Oc2ccc(C(=O)Nc3cc(C#N)ccn3)cc2)ccnc1N.
What is the InChIKey of 4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide?
The InChIKey is LNZUKMFEYGXCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-24-18(22)17-15(7-9-26-19(17)23)29-14-4-2-13(3-5-14)20(28)27-16-10-12(11-21)6-8-25-16/h2-10H,1H3,(H2,22,24)(H2,23,26)(H,25,27,28).
What are the key properties of 4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide?
4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide has a molecular weight of 387.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-3-(N'-methylcarbamimidoyl)-4-pyridinyl]oxy]-N-(4-cyano-2-pyridinyl)benzamide is sourced from PubChem (CID 144992065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).