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

C19H28FN3O3 — CID 151731180

IUPAC6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESC[C@@H](COCCF)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1
InChIInChI=1S/C19H28FN3O3/c1-14(12-25-11-8-20)21-18(24)16-6-7-17(23-9-2-3-10-23)19(22-16)26-13-15-4-5-15/h6-7,14-15H,2-5,8-13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyRKPAIBKYIFUQQT-AWEZNQCLSA-N
MW365.45 g/mol
LogP2.58
Rot. Bonds10

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

6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 151731180) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID151731180
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Name6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESC[C@@H](COCCF)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1
InChIInChI=1S/C19H28FN3O3/c1-14(12-25-11-8-20)21-18(24)16-6-7-17(23-9-2-3-10-23)19(22-16)26-13-15-4-5-15/h6-7,14-15H,2-5,8-13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyRKPAIBKYIFUQQT-AWEZNQCLSA-N
XLogP2.58
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.58
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-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide (CID 151731180) is 6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide is C[C@@H](COCCF)NC(=O)c1ccc(N2CCCC2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is RKPAIBKYIFUQQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28FN3O3/c1-14(12-25-11-8-20)21-18(24)16-6-7-17(23-9-2-3-10-23)19(22-16)26-13-15-4-5-15/h6-7,14-15H,2-5,8-13H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[(2S)-1-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 2.58, 10 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-(2-fluoroethoxy)propan-2-yl]-5-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 151731180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).