(3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide

C22H23N3O2 — CID 129416846

IUPAC(3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(O[C@H]2CCN(C(=O)NCc3cccc4ccccc34)C2)n1
InChIInChI=1S/C22H23N3O2/c1-16-6-4-11-21(24-16)27-19-12-13-25(15-19)22(26)23-14-18-9-5-8-17-7-2-3-10-20(17)18/h2-11,19H,12-15H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyIBFCKCBHQUOMQH-IBGZPJMESA-N
MW361.45 g/mol
LogP3.91
Rot. Bonds4

About (3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide

(3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 129416846) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID129416846
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(O[C@H]2CCN(C(=O)NCc3cccc4ccccc34)C2)n1
InChIInChI=1S/C22H23N3O2/c1-16-6-4-11-21(24-16)27-19-12-13-25(15-19)22(26)23-14-18-9-5-8-17-7-2-3-10-20(17)18/h2-11,19H,12-15H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyIBFCKCBHQUOMQH-IBGZPJMESA-N
XLogP3.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129418309
N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
CID 90560452
3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
CID 122249689
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122249711
(4-bromophenyl)-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129417594
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249453
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide
CID 122249708
N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 91627152
4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 71799611

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide (CID 129416846) is (3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide is Cc1cccc(O[C@H]2CCN(C(=O)NCc3cccc4ccccc34)C2)n1.
What is the InChIKey of (3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is IBFCKCBHQUOMQH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-6-4-11-21(24-16)27-19-12-13-25(15-19)22(26)23-14-18-9-5-8-17-7-2-3-10-20(17)18/h2-11,19H,12-15H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide?
(3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 129416846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).