N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

C21H29N3O2S — CID 68908007

IUPACN-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCNC2
InChIInChI=1S/C21H29N3O2S/c1-2-4-23-18(25)17-15-3-5-22-11-16(15)27-19(17)24-20(26)21-9-12-6-13(10-21)8-14(21)7-12/h12-14,22H,2-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyBWGIYWVDKHISHC-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.30
Rot. Bonds5

About N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 68908007) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID68908007
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCNC2
InChIInChI=1S/C21H29N3O2S/c1-2-4-23-18(25)17-15-3-5-22-11-16(15)27-19(17)24-20(26)21-9-12-6-13(10-21)8-14(21)7-12/h12-14,22H,2-11H2,1H3,(H,23,25)(H,24,26)
InChIKeyBWGIYWVDKHISHC-UHFFFAOYSA-N
XLogP3.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (CID 68908007) is N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCNC2.
What is the InChIKey of N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is BWGIYWVDKHISHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-2-4-23-18(25)17-15-3-5-22-11-16(15)27-19(17)24-20(26)21-9-12-6-13(10-21)8-14(21)7-12/h12-14,22H,2-11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 68908007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).