(3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C21H26N4O — CID 97195964

IUPAC(3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCc1nc(CCNC(=O)[C@H]2Cc3ccccc3CN2C)nc2c1CCC2
InChIInChI=1S/C21H26N4O/c1-14-17-8-5-9-18(17)24-20(23-14)10-11-22-21(26)19-12-15-6-3-4-7-16(15)13-25(19)2/h3-4,6-7,19H,5,8-13H2,1-2H3,(H,22,26)/t19-/m1/s1
InChIKeyBUUHZOYSNFVJPT-LJQANCHMSA-N
MW350.47 g/mol
LogP1.99
Rot. Bonds4

About (3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

(3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 97195964) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID97195964
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCc1nc(CCNC(=O)[C@H]2Cc3ccccc3CN2C)nc2c1CCC2
InChIInChI=1S/C21H26N4O/c1-14-17-8-5-9-18(17)24-20(23-14)10-11-22-21(26)19-12-15-6-3-4-7-16(15)13-25(19)2/h3-4,6-7,19H,5,8-13H2,1-2H3,(H,22,26)/t19-/m1/s1
InChIKeyBUUHZOYSNFVJPT-LJQANCHMSA-N
XLogP1.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 97195964) is (3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is Cc1nc(CCNC(=O)[C@H]2Cc3ccccc3CN2C)nc2c1CCC2.
What is the InChIKey of (3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is BUUHZOYSNFVJPT-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-17-8-5-9-18(17)24-20(23-14)10-11-22-21(26)19-12-15-6-3-4-7-16(15)13-25(19)2/h3-4,6-7,19H,5,8-13H2,1-2H3,(H,22,26)/t19-/m1/s1.
What are the key properties of (3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
(3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 97195964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).