(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

C18H23N3O3 — CID 94041255

IUPAC(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCCOCc1ccco1)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C18H23N3O3/c22-18(20-8-3-12-23-14-16-4-2-13-24-16)21-11-1-5-17(21)15-6-9-19-10-7-15/h2,4,6-7,9-10,13,17H,1,3,5,8,11-12,14H2,(H,20,22)/t17-/m1/s1
InChIKeyNKLFYHWDUPPYRU-QGZVFWFLSA-N
MW329.40 g/mol
LogP3.13
Rot. Bonds7

About (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 94041255) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID94041255
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCCOCc1ccco1)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C18H23N3O3/c22-18(20-8-3-12-23-14-16-4-2-13-24-16)21-11-1-5-17(21)15-6-9-19-10-7-15/h2,4,6-7,9-10,13,17H,1,3,5,8,11-12,14H2,(H,20,22)/t17-/m1/s1
InChIKeyNKLFYHWDUPPYRU-QGZVFWFLSA-N
XLogP3.13
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030226
(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 51551008
N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide
CID 71916012
3-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 86843944
2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 51084887
4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 55794043
(2S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52521085
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 75451642
N-[3-(furan-2-ylmethoxy)propyl]-2-piperazin-1-ylacetamide
CID 61275324
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87007306
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 47022403

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 94041255) is (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(NCCCOCc1ccco1)N1CCC[C@@H]1c1ccncc1.
What is the InChIKey of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is NKLFYHWDUPPYRU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-18(20-8-3-12-23-14-16-4-2-13-24-16)21-11-1-5-17(21)15-6-9-19-10-7-15/h2,4,6-7,9-10,13,17H,1,3,5,8,11-12,14H2,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94041255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).