N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine

C13H13ClN4 — CID 171644695

IUPACN-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine
SMILES[H]/N=C/c1cc(Cl)c(CNc2ccncc2)cc1N
InChIInChI=1S/C13H13ClN4/c14-12-5-9(7-15)13(16)6-10(12)8-18-11-1-3-17-4-2-11/h1-7,15H,8,16H2,(H,17,18)/b15-7+
InChIKeyNXLFSALAHPFPEA-VIZOYTHASA-N
MW260.73 g/mol
LogP2.93
Rot. Bonds4

About N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine

N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine (PubChem CID 171644695) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine
PubChem CID171644695
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC NameN-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine
SMILES[H]/N=C/c1cc(Cl)c(CNc2ccncc2)cc1N
InChIInChI=1S/C13H13ClN4/c14-12-5-9(7-15)13(16)6-10(12)8-18-11-1-3-17-4-2-11/h1-7,15H,8,16H2,(H,17,18)/b15-7+
InChIKeyNXLFSALAHPFPEA-VIZOYTHASA-N
XLogP2.93
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-[(3Z)-3-hydrazinylidene-4-methyliminobutyl]-2-methanimidoylaniline
CID 171644891
N-[(5-amino-1H-pyrazol-4-yl)methyl]pyridin-4-amine
CID 79529420
ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine
CID 143786948
4-amino-N-(3,4-dichlorophenyl)-3-methanimidoylbenzamide
CID 129089974
4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine
CID 140784170
3-chloro-6-methanimidoyl-2-methylaniline
CID 146551332
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
4-chloro-3-[[4-(1,3-oxazol-2-yl)anilino]methyl]aniline
CID 146269533
(E)-N-(3-amino-4-methanimidoylphenyl)-3-[4-[(Z)-1,3-diaminoprop-1-en-2-yl]-3-pyridinyl]prop-2-enamide
CID 146205658
N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 60918879
4-chloro-2-methanimidoyl-5-[3-(2H-pyrrol-5-yl)cyclobutyl]aniline
CID 171644743
4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2-methanimidoylbenzene-1,4-diamine
CID 144828615

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine?
The IUPAC name of N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine (CID 171644695) is N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine is [H]/N=C/c1cc(Cl)c(CNc2ccncc2)cc1N.
What is the InChIKey of N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine?
The InChIKey is NXLFSALAHPFPEA-VIZOYTHASA-N. The full InChI is InChI=1S/C13H13ClN4/c14-12-5-9(7-15)13(16)6-10(12)8-18-11-1-3-17-4-2-11/h1-7,15H,8,16H2,(H,17,18)/b15-7+.
What are the key properties of N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine?
N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine has a molecular weight of 260.73 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chloro-4-methanimidoylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 171644695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).