N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide

C18H21N5O4 — CID 72861682

IUPACN-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cncnc2C)CN1C(=O)c1ccco1
InChIInChI=1S/C18H21N5O4/c1-3-20-17(25)14-7-12(9-23(14)18(26)15-5-4-6-27-15)22-16(24)13-8-19-10-21-11(13)2/h4-6,8,10,12,14H,3,7,9H2,1-2H3,(H,20,25)(H,22,24)/t12-,14-/m0/s1
InChIKeyWPELUYAAESHMPL-JSGCOSHPSA-N
MW371.40 g/mol
LogP0.53
Rot. Bonds5

About N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 72861682) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID72861682
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cncnc2C)CN1C(=O)c1ccco1
InChIInChI=1S/C18H21N5O4/c1-3-20-17(25)14-7-12(9-23(14)18(26)15-5-4-6-27-15)22-16(24)13-8-19-10-21-11(13)2/h4-6,8,10,12,14H,3,7,9H2,1-2H3,(H,20,25)(H,22,24)/t12-,14-/m0/s1
InChIKeyWPELUYAAESHMPL-JSGCOSHPSA-N
XLogP0.53
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 72862078
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72917004
(2S,4S)-1-(furan-2-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198841
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 72907535
cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675402
(2S,4S)-N-ethyl-1-(3-methylsulfanylpropanoyl)-4-[(2-pyridin-3-ylacetyl)amino]pyrrolidine-2-carboxamide
CID 72935961
1-(cyclobutanecarbonyl)-N-ethyl-4-[(5-ethylthiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide
CID 156606944
N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide
CID 156607252
(2S,4S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-(furan-2-carbonyl)-4-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide
CID 7049497
1-[5-[2-carboxy-4-(furan-2-carbonylamino)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-4-[(2-methoxyacetyl)amino]pyrrolidine-2-carboxylic acid
CID 3736820
N-ethyl-4-(furan-3-carbonylamino)-1-(3-pyrrol-1-ylpropanoyl)pyrrolidine-2-carboxamide
CID 156604350
(2S,4S)-4-(cyclobutanecarbonylamino)-N-ethyl-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 72854385

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide (CID 72861682) is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cncnc2C)CN1C(=O)c1ccco1.
What is the InChIKey of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is WPELUYAAESHMPL-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-3-20-17(25)14-7-12(9-23(14)18(26)15-5-4-6-27-15)22-16(24)13-8-19-10-21-11(13)2/h4-6,8,10,12,14H,3,7,9H2,1-2H3,(H,20,25)(H,22,24)/t12-,14-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide?
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(furan-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 0.53, 5 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-2-carbonyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 72861682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).