6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide

C20H30FN3O3 — CID 150180972

IUPAC6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESC[C@@H](COCCCF)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1
InChIInChI=1S/C20H30FN3O3/c1-15(13-26-12-4-9-21)22-19(25)17-7-8-18(24-10-2-3-11-24)20(23-17)27-14-16-5-6-16/h7-8,15-16H,2-6,9-14H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyFLKNXOMILJAZJZ-HNNXBMFYSA-N
MW379.48 g/mol
LogP2.97
Rot. Bonds11

About 6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide

6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 150180972) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID150180972
Molecular FormulaC20H30FN3O3
Molecular Weight379.48 g/mol
Exact Mass379.23
IUPAC Name6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESC[C@@H](COCCCF)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1
InChIInChI=1S/C20H30FN3O3/c1-15(13-26-12-4-9-21)22-19(25)17-7-8-18(24-10-2-3-11-24)20(23-17)27-14-16-5-6-16/h7-8,15-16H,2-6,9-14H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyFLKNXOMILJAZJZ-HNNXBMFYSA-N
XLogP2.97
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide (CID 150180972) is 6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide is C[C@@H](COCCCF)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is FLKNXOMILJAZJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30FN3O3/c1-15(13-26-12-4-9-21)22-19(25)17-7-8-18(24-10-2-3-11-24)20(23-17)27-14-16-5-6-16/h7-8,15-16H,2-6,9-14H2,1H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 2.97, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[(2S)-1-(3-fluoropropoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 150180972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).