N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine

C21H23N5O2 — CID 143677608

IUPACN-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine
SMILES[H]/N=C/c1cc(OC(c2ccnc(OC)c2)C(C)N)ccc1Nc1cccnc1
InChIInChI=1S/C21H23N5O2/c1-14(23)21(15-7-9-25-20(11-15)27-2)28-18-5-6-19(16(10-18)12-22)26-17-4-3-8-24-13-17/h3-14,21-22,26H,23H2,1-2H3/b22-12+
InChIKeyICGVKINQCUHIEZ-WSDLNYQXSA-N
MW377.45 g/mol
LogP3.69
Rot. Bonds8

About N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine

N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine (PubChem CID 143677608) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine
PubChem CID143677608
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine
SMILES[H]/N=C/c1cc(OC(c2ccnc(OC)c2)C(C)N)ccc1Nc1cccnc1
InChIInChI=1S/C21H23N5O2/c1-14(23)21(15-7-9-25-20(11-15)27-2)28-18-5-6-19(16(10-18)12-22)26-17-4-3-8-24-13-17/h3-14,21-22,26H,23H2,1-2H3/b22-12+
InChIKeyICGVKINQCUHIEZ-WSDLNYQXSA-N
XLogP3.69
TPSA106.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine?
The IUPAC name of N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine (CID 143677608) is N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine.
What is the SMILES notation for N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine?
The canonical SMILES for N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine is [H]/N=C/c1cc(OC(c2ccnc(OC)c2)C(C)N)ccc1Nc1cccnc1.
What is the InChIKey of N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine?
The InChIKey is ICGVKINQCUHIEZ-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14(23)21(15-7-9-25-20(11-15)27-2)28-18-5-6-19(16(10-18)12-22)26-17-4-3-8-24-13-17/h3-14,21-22,26H,23H2,1-2H3/b22-12+.
What are the key properties of N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine?
N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine has a molecular weight of 377.45 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-1-(2-methoxy-4-pyridinyl)propoxy]-2-methanimidoylphenyl]pyridin-3-amine is sourced from PubChem (CID 143677608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).