N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C16H23N5O5 — CID 72933374

IUPACN-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)[nH]c2=O)CN1C(=O)COC
InChIInChI=1S/C16H23N5O5/c1-4-17-16(25)12-5-10(7-21(12)13(22)8-26-3)20-15(24)11-6-18-9(2)19-14(11)23/h6,10,12H,4-5,7-8H2,1-3H3,(H,17,25)(H,20,24)(H,18,19,23)/t10-,12-/m0/s1
InChIKeyVZKQPYNGICXNKO-JQWIXIFHSA-N
MW365.39 g/mol
LogP-1.44
Rot. Bonds6

About N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72933374) has the molecular formula C16H23N5O5 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72933374
Molecular FormulaC16H23N5O5
Molecular Weight365.39 g/mol
Exact Mass365.17
IUPAC NameN-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)[nH]c2=O)CN1C(=O)COC
InChIInChI=1S/C16H23N5O5/c1-4-17-16(25)12-5-10(7-21(12)13(22)8-26-3)20-15(24)11-6-18-9(2)19-14(11)23/h6,10,12H,4-5,7-8H2,1-3H3,(H,17,25)(H,20,24)(H,18,19,23)/t10-,12-/m0/s1
InChIKeyVZKQPYNGICXNKO-JQWIXIFHSA-N
XLogP-1.44
TPSA133.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56713154
(4S)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56721658
N-[(3S,5S)-5-[(ethylamino)carbonyl]-1-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide (non-preferred name)
CID 72903491
2-Methyl-5-{[2-(morpholin-4-ylcarbonyl)pyrrolidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72926040
2-methyl-5-[(2R)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97454633
2-methyl-5-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97454634

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 72933374) is N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)[nH]c2=O)CN1C(=O)COC.
What is the InChIKey of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VZKQPYNGICXNKO-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H23N5O5/c1-4-17-16(25)12-5-10(7-21(12)13(22)8-26-3)20-15(24)11-6-18-9(2)19-14(11)23/h6,10,12H,4-5,7-8H2,1-3H3,(H,17,25)(H,20,24)(H,18,19,23)/t10-,12-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 365.39 g/mol, XLogP of -1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(ethylcarbamoyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72933374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).