1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide

C14H25N7O — CID 34768967

IUPAC1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(Cc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C14H25N7O/c1-4-16-12(22)10-5-7-21(8-6-10)9-11-17-13(15)19-14(18-11)20(2)3/h10H,4-9H2,1-3H3,(H,16,22)(H2,15,17,18,19)
InChIKeyYNSFQICABJCCFN-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.13
Rot. Bonds5

About 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide (PubChem CID 34768967) has the molecular formula C14H25N7O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide
PubChem CID34768967
Molecular FormulaC14H25N7O
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(Cc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C14H25N7O/c1-4-16-12(22)10-5-7-21(8-6-10)9-11-17-13(15)19-14(18-11)20(2)3/h10H,4-9H2,1-3H3,(H,16,22)(H2,15,17,18,19)
InChIKeyYNSFQICABJCCFN-UHFFFAOYSA-N
XLogP-0.13
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide (CID 34768967) is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(Cc2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide?
The InChIKey is YNSFQICABJCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7O/c1-4-16-12(22)10-5-7-21(8-6-10)9-11-17-13(15)19-14(18-11)20(2)3/h10H,4-9H2,1-3H3,(H,16,22)(H2,15,17,18,19).
What are the key properties of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide?
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 34768967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).