6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide

C19H30N12O — CID 21104225

IUPAC6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Nc2nc(N3CC(N)CC(N)C3)nc(N3CC(N)CC(N)C3)n2)nc1
InChIInChI=1S/C19H30N12O/c20-11-3-12(21)7-30(6-11)18-27-17(26-15-2-1-10(5-25-15)16(24)32)28-19(29-18)31-8-13(22)4-14(23)9-31/h1-2,5,11-14H,3-4,6-9,20-23H2,(H2,24,32)(H,25,26,27,28,29)
InChIKeyZDFQHGGGTBFSTQ-UHFFFAOYSA-N
MW442.53 g/mol
LogP-2.16
Rot. Bonds5

About 6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide

6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide (PubChem CID 21104225) has the molecular formula C19H30N12O and a molecular weight of 442.53 g/mol. Its IUPAC name is 6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide
PubChem CID21104225
Molecular FormulaC19H30N12O
Molecular Weight442.53 g/mol
Exact Mass442.27
IUPAC Name6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Nc2nc(N3CC(N)CC(N)C3)nc(N3CC(N)CC(N)C3)n2)nc1
InChIInChI=1S/C19H30N12O/c20-11-3-12(21)7-30(6-11)18-27-17(26-15-2-1-10(5-25-15)16(24)32)28-19(29-18)31-8-13(22)4-14(23)9-31/h1-2,5,11-14H,3-4,6-9,20-23H2,(H2,24,32)(H,25,26,27,28,29)
InChIKeyZDFQHGGGTBFSTQ-UHFFFAOYSA-N
XLogP-2.16
TPSA217.24 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500442.53
LogP ≤ 5-2.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide (CID 21104225) is 6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide is NC(=O)c1ccc(Nc2nc(N3CC(N)CC(N)C3)nc(N3CC(N)CC(N)C3)n2)nc1.
What is the InChIKey of 6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide?
The InChIKey is ZDFQHGGGTBFSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N12O/c20-11-3-12(21)7-30(6-11)18-27-17(26-15-2-1-10(5-25-15)16(24)32)28-19(29-18)31-8-13(22)4-14(23)9-31/h1-2,5,11-14H,3-4,6-9,20-23H2,(H2,24,32)(H,25,26,27,28,29).
What are the key properties of 6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide?
6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 442.53 g/mol, XLogP of -2.16, 5 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 21104225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).