2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine

C15H19N5O — CID 142608515

IUPAC2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine
SMILES[H]/N=C/c1nc(-c2cnccc2OC)cc(N)c1NC(C)C
InChIInChI=1S/C15H19N5O/c1-9(2)19-15-11(17)6-12(20-13(15)7-16)10-8-18-5-4-14(10)21-3/h4-9,16,19H,1-3H3,(H2,17,20)/b16-7+
InChIKeyYWFBBEOAQYDIDP-FRKPEAEDSA-N
MW285.35 g/mol
LogP2.55
Rot. Bonds5

About 2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine

2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine (PubChem CID 142608515) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine.

Molecular Properties

Compound Name2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine
PubChem CID142608515
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine
SMILES[H]/N=C/c1nc(-c2cnccc2OC)cc(N)c1NC(C)C
InChIInChI=1S/C15H19N5O/c1-9(2)19-15-11(17)6-12(20-13(15)7-16)10-8-18-5-4-14(10)21-3/h4-9,16,19H,1-3H3,(H2,17,20)/b16-7+
InChIKeyYWFBBEOAQYDIDP-FRKPEAEDSA-N
XLogP2.55
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine?
The IUPAC name of 2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine (CID 142608515) is 2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine.
What is the SMILES notation for 2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine?
The canonical SMILES for 2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine is [H]/N=C/c1nc(-c2cnccc2OC)cc(N)c1NC(C)C.
What is the InChIKey of 2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine?
The InChIKey is YWFBBEOAQYDIDP-FRKPEAEDSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9(2)19-15-11(17)6-12(20-13(15)7-16)10-8-18-5-4-14(10)21-3/h4-9,16,19H,1-3H3,(H2,17,20)/b16-7+.
What are the key properties of 2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine?
2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine has a molecular weight of 285.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-6-(4-methoxy-3-pyridinyl)-3-N-propan-2-ylpyridine-3,4-diamine is sourced from PubChem (CID 142608515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).