N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C16H17N7OS — CID 45167995

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCCc1nnc(NC(=O)N2CCc3[nH]cnc3C2c2ccncc2)s1
InChIInChI=1S/C16H17N7OS/c1-2-12-21-22-15(25-12)20-16(24)23-8-5-11-13(19-9-18-11)14(23)10-3-6-17-7-4-10/h3-4,6-7,9,14H,2,5,8H2,1H3,(H,18,19)(H,20,22,24)
InChIKeyVQXYNMJUHDUREC-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.40
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 45167995) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID45167995
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCCc1nnc(NC(=O)N2CCc3[nH]cnc3C2c2ccncc2)s1
InChIInChI=1S/C16H17N7OS/c1-2-12-21-22-15(25-12)20-16(24)23-8-5-11-13(19-9-18-11)14(23)10-3-6-17-7-4-10/h3-4,6-7,9,14H,2,5,8H2,1H3,(H,18,19)(H,20,22,24)
InChIKeyVQXYNMJUHDUREC-UHFFFAOYSA-N
XLogP2.40
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 45167995) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is CCc1nnc(NC(=O)N2CCc3[nH]cnc3C2c2ccncc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is VQXYNMJUHDUREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-2-12-21-22-15(25-12)20-16(24)23-8-5-11-13(19-9-18-11)14(23)10-3-6-17-7-4-10/h3-4,6-7,9,14H,2,5,8H2,1H3,(H,18,19)(H,20,22,24).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 45167995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).