N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide

C19H25N5O3 — CID 72919904

IUPACN-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)nc(C)n2)CN1Cc1ccoc1
InChIInChI=1S/C19H25N5O3/c1-4-20-19(26)17-8-15(10-24(17)9-14-5-6-27-11-14)23-18(25)16-7-12(2)21-13(3)22-16/h5-7,11,15,17H,4,8-10H2,1-3H3,(H,20,26)(H,23,25)/t15-,17-/m0/s1
InChIKeyBCMGSIODIRDMHE-RDJZCZTQSA-N
MW371.44 g/mol
LogP1.20
Rot. Bonds6

About N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 72919904) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID72919904
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)nc(C)n2)CN1Cc1ccoc1
InChIInChI=1S/C19H25N5O3/c1-4-20-19(26)17-8-15(10-24(17)9-14-5-6-27-11-14)23-18(25)16-7-12(2)21-13(3)22-16/h5-7,11,15,17H,4,8-10H2,1-3H3,(H,20,26)(H,23,25)/t15-,17-/m0/s1
InChIKeyBCMGSIODIRDMHE-RDJZCZTQSA-N
XLogP1.20
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
CID 72880705
(2S,4S)-N-ethyl-4-(furan-3-carbonylamino)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 72885911
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 72924623
(2S,4S)-N-ethyl-4-[(5-methylthiophene-3-carbonyl)amino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 72842223
(2S,4S)-4-acetamido-N-ethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 72923158
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 72935005
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 72890602
(2S,4S)-N-ethyl-4-[[5-(hydroxymethyl)furan-2-carbonyl]amino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 72871900
N-[(3R,5S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 72855563
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 72907535
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 72920956
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 72933843

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide (CID 72919904) is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)nc(C)n2)CN1Cc1ccoc1.
What is the InChIKey of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is BCMGSIODIRDMHE-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-4-20-19(26)17-8-15(10-24(17)9-14-5-6-27-11-14)23-18(25)16-7-12(2)21-13(3)22-16/h5-7,11,15,17H,4,8-10H2,1-3H3,(H,20,26)(H,23,25)/t15-,17-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide?
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 72919904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).