N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide

C22H22N2O3 — CID 39966113

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc(=O)c2c1
InChIInChI=1S/C22H22N2O3/c1-15-7-8-20-18(11-15)19(25)12-21(27-20)22(26)23-17-9-10-24(14-17)13-16-5-3-2-4-6-16/h2-8,11-12,17H,9-10,13-14H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyMRUGCZYXQBNYMY-QGZVFWFLSA-N
MW362.43 g/mol
LogP3.11
Rot. Bonds4

About N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 39966113) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide
PubChem CID39966113
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc(=O)c2c1
InChIInChI=1S/C22H22N2O3/c1-15-7-8-20-18(11-15)19(25)12-21(27-20)22(26)23-17-9-10-24(14-17)13-16-5-3-2-4-6-16/h2-8,11-12,17H,9-10,13-14H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyMRUGCZYXQBNYMY-QGZVFWFLSA-N
XLogP3.11
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
N-(1-benzylpiperidin-4-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 20865560
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
CID 23905235
N-(1-benzylpyrrolidin-3-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 55378288
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide (CID 39966113) is N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)cc(=O)c2c1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is MRUGCZYXQBNYMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-7-8-20-18(11-15)19(25)12-21(27-20)22(26)23-17-9-10-24(14-17)13-16-5-3-2-4-6-16/h2-8,11-12,17H,9-10,13-14H2,1H3,(H,23,26)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 39966113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).