(3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide

C17H21N5O3 — CID 94177564

IUPAC(3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)CC1=O
InChIInChI=1S/C17H21N5O3/c1-25-8-7-21-12-14(10-16(21)23)17(24)19-11-13-3-5-18-15(9-13)22-6-2-4-20-22/h2-6,9,14H,7-8,10-12H2,1H3,(H,19,24)/t14-/m0/s1
InChIKeyFXXCOBTVRYORIH-AWEZNQCLSA-N
MW343.39 g/mol
LogP0.38
Rot. Bonds7

About (3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide

(3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 94177564) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
PubChem CID94177564
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)CC1=O
InChIInChI=1S/C17H21N5O3/c1-25-8-7-21-12-14(10-16(21)23)17(24)19-11-13-3-5-18-15(9-13)22-6-2-4-20-22/h2-6,9,14H,7-8,10-12H2,1H3,(H,19,24)/t14-/m0/s1
InChIKeyFXXCOBTVRYORIH-AWEZNQCLSA-N
XLogP0.38
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 51078198
1-(2-methoxyethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 51077316
(3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94147067
1-cyclopentyl-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55636175
(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632675
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide
CID 51943461
3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846913
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55743443
(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 94030798
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide (CID 94177564) is (3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide is COCCN1C[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)CC1=O.
What is the InChIKey of (3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is FXXCOBTVRYORIH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-25-8-7-21-12-14(10-16(21)23)17(24)19-11-13-3-5-18-15(9-13)22-6-2-4-20-22/h2-6,9,14H,7-8,10-12H2,1H3,(H,19,24)/t14-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
(3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94177564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).