(2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide

C16H23N3O2 — CID 68643691

IUPAC(2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1CN[C@@H](C(=O)Nc2ccc3c(c2)CCN(C)C3)C1
InChIInChI=1S/C16H23N3O2/c1-19-6-5-11-7-13(4-3-12(11)10-19)18-16(20)15-8-14(21-2)9-17-15/h3-4,7,14-15,17H,5-6,8-10H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyHZMJRFOHLAMWON-HUUCEWRRSA-N
MW289.38 g/mol
LogP0.99
Rot. Bonds3

About (2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide

(2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide (PubChem CID 68643691) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
PubChem CID68643691
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
SMILESCO[C@H]1CN[C@@H](C(=O)Nc2ccc3c(c2)CCN(C)C3)C1
InChIInChI=1S/C16H23N3O2/c1-19-6-5-11-7-13(4-3-12(11)10-19)18-16(20)15-8-14(21-2)9-17-15/h3-4,7,14-15,17H,5-6,8-10H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyHZMJRFOHLAMWON-HUUCEWRRSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methoxy-N-(2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
CID 70309384
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214459
N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214741
N-(3-chloro-4-nitrophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 82864769
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61213291
4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 62813538
(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 16722214
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 24857779
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 106911790
3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 115339970

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide (CID 68643691) is (2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide is CO[C@H]1CN[C@@H](C(=O)Nc2ccc3c(c2)CCN(C)C3)C1.
What is the InChIKey of (2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is HZMJRFOHLAMWON-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-6-5-11-7-13(4-3-12(11)10-19)18-16(20)15-8-14(21-2)9-17-15/h3-4,7,14-15,17H,5-6,8-10H2,1-2H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of (2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide?
(2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 68643691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).