N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide

C19H21N7OS — CID 170647805

IUPACN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2nc(-c3cccnc3)ns2)C1
InChIInChI=1S/C19H21N7OS/c1-12-7-14(20)11-26(10-12)16-4-6-22-9-15(16)23-18(27)19-24-17(25-28-19)13-3-2-5-21-8-13/h2-6,8-9,12,14H,7,10-11,20H2,1H3,(H,23,27)/t12-,14+/m1/s1
InChIKeyAOQLLNDNJUETJS-OCCSQVGLSA-N
MW395.49 g/mol
LogP2.42
Rot. Bonds4

About N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 170647805) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide
PubChem CID170647805
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC NameN-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide
SMILESC[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2nc(-c3cccnc3)ns2)C1
InChIInChI=1S/C19H21N7OS/c1-12-7-14(20)11-26(10-12)16-4-6-22-9-15(16)23-18(27)19-24-17(25-28-19)13-3-2-5-21-8-13/h2-6,8-9,12,14H,7,10-11,20H2,1H3,(H,23,27)/t12-,14+/m1/s1
InChIKeyAOQLLNDNJUETJS-OCCSQVGLSA-N
XLogP2.42
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide (CID 170647805) is N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide is C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2nc(-c3cccnc3)ns2)C1.
What is the InChIKey of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is AOQLLNDNJUETJS-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H21N7OS/c1-12-7-14(20)11-26(10-12)16-4-6-22-9-15(16)23-18(27)19-24-17(25-28-19)13-3-2-5-21-8-13/h2-6,8-9,12,14H,7,10-11,20H2,1H3,(H,23,27)/t12-,14+/m1/s1.
What are the key properties of N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide?
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-pyridin-3-yl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 170647805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).