2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C21H29N5O4 — CID 167756958

IUPAC2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](CNC(=O)c2cccnc2OC)[C@@H]1c1cnn(C(C)C)c1
InChIInChI=1S/C21H29N5O4/c1-14(2)26-13-16(12-24-26)19-15(10-18(27)25(19)8-9-29-3)11-23-20(28)17-6-5-7-22-21(17)30-4/h5-7,12-15,19H,8-11H2,1-4H3,(H,23,28)/t15-,19+/m0/s1
InChIKeyNHHNRNKTNCOETN-HNAYVOBHSA-N
MW415.49 g/mol
LogP1.83
Rot. Bonds9

About 2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 167756958) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID167756958
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCOCCN1C(=O)C[C@@H](CNC(=O)c2cccnc2OC)[C@@H]1c1cnn(C(C)C)c1
InChIInChI=1S/C21H29N5O4/c1-14(2)26-13-16(12-24-26)19-15(10-18(27)25(19)8-9-29-3)11-23-20(28)17-6-5-7-22-21(17)30-4/h5-7,12-15,19H,8-11H2,1-4H3,(H,23,28)/t15-,19+/m0/s1
InChIKeyNHHNRNKTNCOETN-HNAYVOBHSA-N
XLogP1.83
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 167945757
3-(3-but-3-ynyldiazirin-3-yl)-N-[[(2S,3R)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 166423328
(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 128967265
N-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 128967348
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113273848
(4S,5R)-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)-4-[(quinolin-6-ylmethylamino)methyl]pyrrolidin-2-one
CID 129005063
2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
CID 118771778
1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea
CID 138015976
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
N-[[(2R,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide
CID 128966523
6-[[(2R,3S)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methylamino]pyrazine-2-carboxamide
CID 128990875

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 167756958) is 2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is COCCN1C(=O)C[C@@H](CNC(=O)c2cccnc2OC)[C@@H]1c1cnn(C(C)C)c1.
What is the InChIKey of 2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is NHHNRNKTNCOETN-HNAYVOBHSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-14(2)26-13-16(12-24-26)19-15(10-18(27)25(19)8-9-29-3)11-23-20(28)17-6-5-7-22-21(17)30-4/h5-7,12-15,19H,8-11H2,1-4H3,(H,23,28)/t15-,19+/m0/s1.
What are the key properties of 2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(2R,3S)-1-(2-methoxyethyl)-5-oxo-2-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 167756958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).