(4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

C19H24N4O2 — CID 134712054

IUPAC(4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
SMILESCN1C[C@@H]2C[C@H](N(C)Cc3cc(-c4cccnc4)no3)C[C@@H]2CC1=O
InChIInChI=1S/C19H24N4O2/c1-22(16-6-14-8-19(24)23(2)11-15(14)7-16)12-17-9-18(21-25-17)13-4-3-5-20-10-13/h3-5,9-10,14-16H,6-8,11-12H2,1-2H3/t14-,15+,16-/m1/s1
InChIKeyKTISWIIHJOPODB-OWCLPIDISA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds4

About (4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

(4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one (PubChem CID 134712054) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one.

Molecular Properties

Compound Name(4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
PubChem CID134712054
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
SMILESCN1C[C@@H]2C[C@H](N(C)Cc3cc(-c4cccnc4)no3)C[C@@H]2CC1=O
InChIInChI=1S/C19H24N4O2/c1-22(16-6-14-8-19(24)23(2)11-15(14)7-16)12-17-9-18(21-25-17)13-4-3-5-20-10-13/h3-5,9-10,14-16H,6-8,11-12H2,1-2H3/t14-,15+,16-/m1/s1
InChIKeyKTISWIIHJOPODB-OWCLPIDISA-N
XLogP2.43
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
The IUPAC name of (4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one (CID 134712054) is (4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one.
What is the SMILES notation for (4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
The canonical SMILES for (4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one is CN1C[C@@H]2C[C@H](N(C)Cc3cc(-c4cccnc4)no3)C[C@@H]2CC1=O.
What is the InChIKey of (4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
The InChIKey is KTISWIIHJOPODB-OWCLPIDISA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22(16-6-14-8-19(24)23(2)11-15(14)7-16)12-17-9-18(21-25-17)13-4-3-5-20-10-13/h3-5,9-10,14-16H,6-8,11-12H2,1-2H3/t14-,15+,16-/m1/s1.
What are the key properties of (4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one?
(4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one has a molecular weight of 340.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R,7aR)-2-methyl-6-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one is sourced from PubChem (CID 134712054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).