2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C18H22N4O2 — CID 50962560

IUPAC2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)N(C)Cc1n[nH]c3c1CCC3)CCC2
InChIInChI=1S/C18H22N4O2/c1-22(10-16-12-6-4-8-15(12)20-21-16)18(23)13-9-11-5-3-7-14(11)19-17(13)24-2/h9H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyPZIHBFKSOOKEQD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.06
Rot. Bonds4

About 2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 50962560) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID50962560
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)N(C)Cc1n[nH]c3c1CCC3)CCC2
InChIInChI=1S/C18H22N4O2/c1-22(10-16-12-6-4-8-15(12)20-21-16)18(23)13-9-11-5-3-7-14(11)19-17(13)24-2/h9H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyPZIHBFKSOOKEQD-UHFFFAOYSA-N
XLogP2.06
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 50962560) is 2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)N(C)Cc1n[nH]c3c1CCC3)CCC2.
What is the InChIKey of 2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is PZIHBFKSOOKEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-22(10-16-12-6-4-8-15(12)20-21-16)18(23)13-9-11-5-3-7-14(11)19-17(13)24-2/h9H,3-8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 50962560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).