N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine

C19H14N6 — CID 170925111

IUPACN-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine
SMILESCc1cc(Nc2nc3c4cnccc4[nH]c3c3cnccc23)ccn1
InChIInChI=1S/C19H14N6/c1-11-8-12(2-7-22-11)23-19-13-3-5-20-9-14(13)17-18(25-19)15-10-21-6-4-16(15)24-17/h2-10,24H,1H3,(H,22,23,25)
InChIKeyQNUGRRMZDDKOMR-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.11
Rot. Bonds2

About N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine

N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine (PubChem CID 170925111) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine
PubChem CID170925111
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC NameN-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine
SMILESCc1cc(Nc2nc3c4cnccc4[nH]c3c3cnccc23)ccn1
InChIInChI=1S/C19H14N6/c1-11-8-12(2-7-22-11)23-19-13-3-5-20-9-14(13)17-18(25-19)15-10-21-6-4-16(15)24-17/h2-10,24H,1H3,(H,22,23,25)
InChIKeyQNUGRRMZDDKOMR-UHFFFAOYSA-N
XLogP4.11
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine with MolForge

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Related Compounds

N-(2-methyl-4-pyridinyl)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaen-8-amine
CID 170651501
4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid
CID 171406094
N-(3-chlorophenyl)-4,8,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-9-amine
CID 171440257
7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 11021716
4-N,4-N-dimethyl-1-N-(4,8,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-9-yl)benzene-1,4-diamine
CID 171440251
5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid
CID 171406059
2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane
CID 162211691
11-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;molecular hydrogen
CID 155583870
N-ethyl-N'-(2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-7-yl)propane-1,3-diamine
CID 3068864
N-(3-methylphenyl)-4,9,11,13,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-8-amine
CID 171440220
N-(6,9-dimethyl-5H-pyrido[4,3-b]indol-7-yl)acetamide
CID 10467444
5-N-(2-methyl-4-pyridinyl)pyridine-2,5-diamine
CID 157043905

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine?
The IUPAC name of N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine (CID 170925111) is N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine is Cc1cc(Nc2nc3c4cnccc4[nH]c3c3cnccc23)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine?
The InChIKey is QNUGRRMZDDKOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-11-8-12(2-7-22-11)23-19-13-3-5-20-9-14(13)17-18(25-19)15-10-21-6-4-16(15)24-17/h2-10,24H,1H3,(H,22,23,25).
What are the key properties of N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine?
N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine has a molecular weight of 326.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-4,9,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-8-amine is sourced from PubChem (CID 170925111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).