3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide

C18H24N6O2 — CID 167836576

IUPAC3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)C1
InChIInChI=1S/C18H24N6O2/c1-11-5-4-6-14(17-20-21-22-24(17)15-9-12(15)2)16(11)19-18(25)23-8-7-13(10-23)26-3/h4-6,12-13,15H,7-10H2,1-3H3,(H,19,25)/t12-,13?,15-/m1/s1
InChIKeyVWFVJACAQFCLGM-ILWWEHDPSA-N
MW356.43 g/mol
LogP2.48
Rot. Bonds4

About 3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide

3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 167836576) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID167836576
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)C1
InChIInChI=1S/C18H24N6O2/c1-11-5-4-6-14(17-20-21-22-24(17)15-9-12(15)2)16(11)19-18(25)23-8-7-13(10-23)26-3/h4-6,12-13,15H,7-10H2,1-3H3,(H,19,25)/t12-,13?,15-/m1/s1
InChIKeyVWFVJACAQFCLGM-ILWWEHDPSA-N
XLogP2.48
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122091903
(2S)-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 100720353
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91906267
(2-bromo-3-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 107982633
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 62941573
N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
CID 103537365
1-[(2-methoxy-6-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102972
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide (CID 167836576) is 3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide is COC1CCN(C(=O)Nc2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)C1.
What is the InChIKey of 3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is VWFVJACAQFCLGM-ILWWEHDPSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-11-5-4-6-14(17-20-21-22-24(17)15-9-12(15)2)16(11)19-18(25)23-8-7-13(10-23)26-3/h4-6,12-13,15H,7-10H2,1-3H3,(H,19,25)/t12-,13?,15-/m1/s1.
What are the key properties of 3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide?
3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-methyl-6-[1-[(1R,2R)-2-methylcyclopropyl]tetrazol-5-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 167836576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).