N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide

C24H27N3O3 — CID 95151089

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
SMILESC[C@H](Oc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-18(19-8-3-2-4-9-19)30-23-12-11-20(16-25-23)24(28)26-17-21(22-10-7-15-29-22)27-13-5-6-14-27/h2-4,7-12,15-16,18,21H,5-6,13-14,17H2,1H3,(H,26,28)/t18-,21-/m0/s1
InChIKeyHUHDDNBMZOUJIA-RXVVDRJESA-N
MW405.50 g/mol
LogP4.38
Rot. Bonds8

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide (PubChem CID 95151089) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
PubChem CID95151089
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
SMILESC[C@H](Oc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-18(19-8-3-2-4-9-19)30-23-12-11-20(16-25-23)24(28)26-17-21(22-10-7-15-29-22)27-13-5-6-14-27/h2-4,7-12,15-16,18,21H,5-6,13-14,17H2,1H3,(H,26,28)/t18-,21-/m0/s1
InChIKeyHUHDDNBMZOUJIA-RXVVDRJESA-N
XLogP4.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 55786679
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 97114625
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 26834301
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74231099
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 17390945
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(phenoxymethyl)benzamide
CID 8001911
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
CID 110312900
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 4841525
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide (CID 95151089) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide is C[C@H](Oc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide?
The InChIKey is HUHDDNBMZOUJIA-RXVVDRJESA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18(19-8-3-2-4-9-19)30-23-12-11-20(16-25-23)24(28)26-17-21(22-10-7-15-29-22)27-13-5-6-14-27/h2-4,7-12,15-16,18,21H,5-6,13-14,17H2,1H3,(H,26,28)/t18-,21-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide is sourced from PubChem (CID 95151089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).