N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine

C20H25N7 — CID 134605884

IUPACN-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine
SMILESCc1cc(C)nc(Nc2ncn(-c3ccnc(N4CCCCCC4)c3)n2)c1
InChIInChI=1S/C20H25N7/c1-15-11-16(2)23-18(12-15)24-20-22-14-27(25-20)17-7-8-21-19(13-17)26-9-5-3-4-6-10-26/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,23,24,25)
InChIKeyXLIVGGIPEVTWPJ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.80
Rot. Bonds4

About N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine

N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine (PubChem CID 134605884) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine
PubChem CID134605884
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC NameN-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine
SMILESCc1cc(C)nc(Nc2ncn(-c3ccnc(N4CCCCCC4)c3)n2)c1
InChIInChI=1S/C20H25N7/c1-15-11-16(2)23-18(12-15)24-20-22-14-27(25-20)17-7-8-21-19(13-17)26-9-5-3-4-6-10-26/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,23,24,25)
InChIKeyXLIVGGIPEVTWPJ-UHFFFAOYSA-N
XLogP3.80
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[4-[[1-[2-(4-acetyl-1,4-diazepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]amino]phenyl]piperazine-1-carboxylate
CID 58883305
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
but-1-ene;1-[(2S,6R)-2,6-dimethyl-4-[4-[3-(4-piperidin-1-ylanilino)-1,2,4-triazol-1-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 90967640
N-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-4-piperidin-1-ylpyridin-2-amine
CID 167754956
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928292
2-N-(6-chloro-4-methyl-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 139450142
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
ethyl 4-[[1-[2-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1,2,4-triazol-3-yl]amino]benzoate
CID 11385721

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine?
The IUPAC name of N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine (CID 134605884) is N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine?
The canonical SMILES for N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine is Cc1cc(C)nc(Nc2ncn(-c3ccnc(N4CCCCCC4)c3)n2)c1.
What is the InChIKey of N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine?
The InChIKey is XLIVGGIPEVTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-15-11-16(2)23-18(12-15)24-20-22-14-27(25-20)17-7-8-21-19(13-17)26-9-5-3-4-6-10-26/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,23,24,25).
What are the key properties of N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine?
N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-triazol-3-yl]-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 134605884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).