N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide

C26H26N4O2 — CID 155197003

IUPACN-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide
SMILESC[C@@]1(C2CC2)CCN(c2ccnc(NC(=O)Cc3cccc(-c4ccncc4)c3)c2)C1=O
InChIInChI=1S/C26H26N4O2/c1-26(21-5-6-21)10-14-30(25(26)32)22-9-13-28-23(17-22)29-24(31)16-18-3-2-4-20(15-18)19-7-11-27-12-8-19/h2-4,7-9,11-13,15,17,21H,5-6,10,14,16H2,1H3,(H,28,29,31)/t26-/m0/s1
InChIKeyPKTJDYWMPYDODU-SANMLTNESA-N
MW426.52 g/mol
LogP4.48
Rot. Bonds6

About N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide

N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide (PubChem CID 155197003) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide
PubChem CID155197003
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide
SMILESC[C@@]1(C2CC2)CCN(c2ccnc(NC(=O)Cc3cccc(-c4ccncc4)c3)c2)C1=O
InChIInChI=1S/C26H26N4O2/c1-26(21-5-6-21)10-14-30(25(26)32)22-9-13-28-23(17-22)29-24(31)16-18-3-2-4-20(15-18)19-7-11-27-12-8-19/h2-4,7-9,11-13,15,17,21H,5-6,10,14,16H2,1H3,(H,28,29,31)/t26-/m0/s1
InChIKeyPKTJDYWMPYDODU-SANMLTNESA-N
XLogP4.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
CID 139327424
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
CID 139327554
N-[4-(3-cyclopropyl-3-methanimidoyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-(3-pyridin-3-ylphenyl)acetamide
CID 139333148
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]phenyl]acetamide
CID 139327488
N-[4-[(3S)-3-(dimethylamino)-2-oxo-3-prop-2-enylpyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1,2-dimethyl-3H-pyrazol-4-yl)phenyl]acetamide
CID 139333084
N-[4-[(3S)-3-cyclopropyl-3-ethanimidoyl-2-oxopyrrolidin-1-yl]-6-fluoro-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
CID 139333231
N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-6-methyl-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]acetamide
CID 155197062
1-benzyl-3-[4-[(3S)-3-cyano-3-hydroxy-2-oxopyrrolidin-1-yl]-2-pyridinyl]urea
CID 121380842
N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide
CID 121374516
1-benzyl-3-[4-(3,3-dimethyl-2-oxoindol-1-yl)-2-pyridinyl]urea
CID 66971371
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 121374858
2-(1-acetylpiperidin-4-yl)-N-(4-phenyl-2-pyridinyl)acetamide
CID 58442951

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide?
The IUPAC name of N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide (CID 155197003) is N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide is C[C@@]1(C2CC2)CCN(c2ccnc(NC(=O)Cc3cccc(-c4ccncc4)c3)c2)C1=O.
What is the InChIKey of N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide?
The InChIKey is PKTJDYWMPYDODU-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N4O2/c1-26(21-5-6-21)10-14-30(25(26)32)22-9-13-28-23(17-22)29-24(31)16-18-3-2-4-20(15-18)19-7-11-27-12-8-19/h2-4,7-9,11-13,15,17,21H,5-6,10,14,16H2,1H3,(H,28,29,31)/t26-/m0/s1.
What are the key properties of N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide?
N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-cyclopropyl-3-methyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-(3-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 155197003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).