[(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate

C18H26N4O4 — CID 175260155

IUPAC[(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate
SMILESCOc1cc(N2CC[C@](C)(OC(N)=O)C2)c(C(=O)NC(C)C2CC2)cn1
InChIInChI=1S/C18H26N4O4/c1-11(12-4-5-12)21-16(23)13-9-20-15(25-3)8-14(13)22-7-6-18(2,10-22)26-17(19)24/h8-9,11-12H,4-7,10H2,1-3H3,(H2,19,24)(H,21,23)/t11?,18-/m0/s1
InChIKeyRSRLHSVAQZPFDB-MCEAHNFKSA-N
MW362.43 g/mol
LogP1.68
Rot. Bonds6

About [(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate

[(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate (PubChem CID 175260155) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is [(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate
PubChem CID175260155
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name[(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate
SMILESCOc1cc(N2CC[C@](C)(OC(N)=O)C2)c(C(=O)NC(C)C2CC2)cn1
InChIInChI=1S/C18H26N4O4/c1-11(12-4-5-12)21-16(23)13-9-20-15(25-3)8-14(13)22-7-6-18(2,10-22)26-17(19)24/h8-9,11-12H,4-7,10H2,1-3H3,(H2,19,24)(H,21,23)/t11?,18-/m0/s1
InChIKeyRSRLHSVAQZPFDB-MCEAHNFKSA-N
XLogP1.68
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate?
The IUPAC name of [(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate (CID 175260155) is [(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate.
What is the SMILES notation for [(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate?
The canonical SMILES for [(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate is COc1cc(N2CC[C@](C)(OC(N)=O)C2)c(C(=O)NC(C)C2CC2)cn1.
What is the InChIKey of [(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate?
The InChIKey is RSRLHSVAQZPFDB-MCEAHNFKSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-11(12-4-5-12)21-16(23)13-9-20-15(25-3)8-14(13)22-7-6-18(2,10-22)26-17(19)24/h8-9,11-12H,4-7,10H2,1-3H3,(H2,19,24)(H,21,23)/t11?,18-/m0/s1.
What are the key properties of [(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate?
[(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate has a molecular weight of 362.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[5-(1-cyclopropylethylcarbamoyl)-2-methoxy-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate is sourced from PubChem (CID 175260155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).