2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide

C21H24N8 — CID 88885143

IUPAC2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide
SMILESC=NN(Cc1ccc(CCc2ccccn2)cc1)/N=C(\N)c1ccc(N)nc1N
InChIInChI=1S/C21H24N8/c1-25-29(28-21(24)18-11-12-19(22)27-20(18)23)14-16-7-5-15(6-8-16)9-10-17-4-2-3-13-26-17/h2-8,11-13H,1,9-10,14H2,(H2,24,28)(H4,22,23,27)
InChIKeyQROQGLMYIYSJFK-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.16
Rot. Bonds8

About 2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide

2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide (PubChem CID 88885143) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide
PubChem CID88885143
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide
SMILESC=NN(Cc1ccc(CCc2ccccn2)cc1)/N=C(\N)c1ccc(N)nc1N
InChIInChI=1S/C21H24N8/c1-25-29(28-21(24)18-11-12-19(22)27-20(18)23)14-16-7-5-15(6-8-16)9-10-17-4-2-3-13-26-17/h2-8,11-13H,1,9-10,14H2,(H2,24,28)(H4,22,23,27)
InChIKeyQROQGLMYIYSJFK-UHFFFAOYSA-N
XLogP2.16
TPSA131.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.16
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine
CID 168602362
4-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 10398308
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
3-amino-2-methyl-4-(2-pyridin-2-ylethyl)phenol
CID 174442425
6-(2-pyridin-2-ylethyl)-1,3-benzoxazol-2-amine
CID 10105663
4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 60892235
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111069799
(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 60893000
6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
CID 44598597
4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 114904269
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
CID 111024696

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide?
The IUPAC name of 2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide (CID 88885143) is 2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide?
The canonical SMILES for 2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide is C=NN(Cc1ccc(CCc2ccccn2)cc1)/N=C(\N)c1ccc(N)nc1N.
What is the InChIKey of 2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide?
The InChIKey is QROQGLMYIYSJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-25-29(28-21(24)18-11-12-19(22)27-20(18)23)14-16-7-5-15(6-8-16)9-10-17-4-2-3-13-26-17/h2-8,11-13H,1,9-10,14H2,(H2,24,28)(H4,22,23,27).
What are the key properties of 2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide?
2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide has a molecular weight of 388.48 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-N'-[(methylideneamino)-[[4-(2-pyridin-2-ylethyl)phenyl]methyl]amino]pyridine-3-carboximidamide is sourced from PubChem (CID 88885143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).