N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine

C15H12IN3 — CID 177055978

IUPACN-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine
SMILESCc1cnc(Nc2ccc3ccncc3c2)cc1I
InChIInChI=1S/C15H12IN3/c1-10-8-18-15(7-14(10)16)19-13-3-2-11-4-5-17-9-12(11)6-13/h2-9H,1H3,(H,18,19)
InChIKeyRUVOTQPCGODUKE-UHFFFAOYSA-N
MW361.19 g/mol
LogP4.29
Rot. Bonds2

About N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine

N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine (PubChem CID 177055978) has the molecular formula C15H12IN3 and a molecular weight of 361.19 g/mol. Its IUPAC name is N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine.

Molecular Properties

Compound NameN-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine
PubChem CID177055978
Molecular FormulaC15H12IN3
Molecular Weight361.19 g/mol
Exact Mass361.01
IUPAC NameN-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine
SMILESCc1cnc(Nc2ccc3ccncc3c2)cc1I
InChIInChI=1S/C15H12IN3/c1-10-8-18-15(7-14(10)16)19-13-3-2-11-4-5-17-9-12(11)6-13/h2-9H,1H3,(H,18,19)
InChIKeyRUVOTQPCGODUKE-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine
CID 171557532
N-(6-methyl-3-pyridinyl)isoquinolin-7-amine
CID 160767856
2-[2-[2-[[2-(isoquinolin-6-ylamino)-5-methyl-4-pyridinyl]oxy]ethoxy]ethoxy]ethanol
CID 165371566
N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine
CID 91217770
N-(5-bromo-2-pyridinyl)isoquinolin-6-amine
CID 134194515
N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine
CID 90713193
6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine
CID 114258187
ethyl 2-(isoquinolin-7-ylamino)-2-oxoacetate
CID 58603917
2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 79172818
4-methyl-2-N-quinolin-6-ylpyridine-2,5-diamine
CID 79176038
4-isoquinolin-7-yl-N-methylpyridin-2-amine
CID 166371532
5-iodo-N-naphthalen-2-ylpyrimidin-2-amine
CID 116648943

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine?
The IUPAC name of N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine (CID 177055978) is N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine.
What is the SMILES notation for N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine?
The canonical SMILES for N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine is Cc1cnc(Nc2ccc3ccncc3c2)cc1I.
What is the InChIKey of N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine?
The InChIKey is RUVOTQPCGODUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3/c1-10-8-18-15(7-14(10)16)19-13-3-2-11-4-5-17-9-12(11)6-13/h2-9H,1H3,(H,18,19).
What are the key properties of N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine?
N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine has a molecular weight of 361.19 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine is sourced from PubChem (CID 177055978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).