N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide

C20H26N4O3 — CID 72924623

IUPACN-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccncc2)CN1Cc1ccoc1
InChIInChI=1S/C20H26N4O3/c1-3-23(4-2)20(26)18-11-17(13-24(18)12-15-7-10-27-14-15)22-19(25)16-5-8-21-9-6-16/h5-10,14,17-18H,3-4,11-13H2,1-2H3,(H,22,25)/t17-,18-/m0/s1
InChIKeyYOFOVRSQNDZPKE-ROUUACIJSA-N
MW370.45 g/mol
LogP1.92
Rot. Bonds7

About N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide

N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 72924623) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID72924623
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccncc2)CN1Cc1ccoc1
InChIInChI=1S/C20H26N4O3/c1-3-23(4-2)20(26)18-11-17(13-24(18)12-15-7-10-27-14-15)22-19(25)16-5-8-21-9-6-16/h5-10,14,17-18H,3-4,11-13H2,1-2H3,(H,22,25)/t17-,18-/m0/s1
InChIKeyYOFOVRSQNDZPKE-ROUUACIJSA-N
XLogP1.92
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 156605980
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
CID 72880705
(2S,4R)-1-[(4-chlorophenyl)methyl]-N,N-diethyl-4-(pyridin-4-ylmethylamino)pyrrolidine-2-carboxamide
CID 126464877
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide
CID 72935394
N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72937755
N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72854792
(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide
CID 72894334
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 72919904
N-[(3R,5S)-5-(diethylcarbamoyl)-1-propylpyrrolidin-3-yl]-2-(methylamino)pyrimidine-5-carboxamide
CID 72873267
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72852892
N-[(3R,5S)-5-(diethylcarbamoyl)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 72917744
(2S,4S)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 72887166

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide (CID 72924623) is N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccncc2)CN1Cc1ccoc1.
What is the InChIKey of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is YOFOVRSQNDZPKE-ROUUACIJSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-23(4-2)20(26)18-11-17(13-24(18)12-15-7-10-27-14-15)22-19(25)16-5-8-21-9-6-16/h5-10,14,17-18H,3-4,11-13H2,1-2H3,(H,22,25)/t17-,18-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide?
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 72924623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).