3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide

C22H24N6O3S — CID 77420767

IUPAC3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide
SMILESNc1ccc(-c2scc3c2OCCO3)nc1C(=O)Nc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C22H24N6O3S/c23-13-2-1-7-28(11-13)17-5-6-25-10-16(17)27-22(29)19-14(24)3-4-15(26-19)21-20-18(12-32-21)30-8-9-31-20/h3-6,10,12-13H,1-2,7-9,11,23-24H2,(H,27,29)
InChIKeyULMJVIGVSYSQAP-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.74
Rot. Bonds4

About 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide

3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide (PubChem CID 77420767) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide
PubChem CID77420767
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC Name3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide
SMILESNc1ccc(-c2scc3c2OCCO3)nc1C(=O)Nc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C22H24N6O3S/c23-13-2-1-7-28(11-13)17-5-6-25-10-16(17)27-22(29)19-14(24)3-4-15(26-19)21-20-18(12-32-21)30-8-9-31-20/h3-6,10,12-13H,1-2,7-9,11,23-24H2,(H,27,29)
InChIKeyULMJVIGVSYSQAP-UHFFFAOYSA-N
XLogP2.74
TPSA128.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide
CID 68187598
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-piperidin-1-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155138383
1-[3-amino-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 158309246
[5-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrazin-2-yl]-piperazin-1-ylmethanone
CID 167963667

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide (CID 77420767) is 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide is Nc1ccc(-c2scc3c2OCCO3)nc1C(=O)Nc1cnccc1N1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide?
The InChIKey is ULMJVIGVSYSQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c23-13-2-1-7-28(11-13)17-5-6-25-10-16(17)27-22(29)19-14(24)3-4-15(26-19)21-20-18(12-32-21)30-8-9-31-20/h3-6,10,12-13H,1-2,7-9,11,23-24H2,(H,27,29).
What are the key properties of 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide?
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 77420767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).